PubChemLite - 2-(4-(aminomethyl)piperidin-1-yl)-n-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide (C24H31N5O2)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)C2=C3C(=NN2)C4=C(C3=O)C(=CC=C4)NC(=O)CN5CCC(CC5)CN

InChI

InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)

InChIKey

AITZHKQVQNLKHI-UHFFFAOYSA-N

Compound name

2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	422.25505	199.7
[M+Na]+	444.23699	201.6
[M-H]-	420.24049	204.3
[M+NH4]+	439.28159	209.0
[M+K]+	460.21093	194.6
[M+H-H2O]+	404.24503	189.4
[M+HCOO]-	466.24597	210.1
[M+CH3COO]-	480.26162	205.1
[M+Na-2H]-	442.22244	194.8
[M]+	421.24722	190.7
[M]-	421.24832	190.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.25505

199.7

[M+Na]+

444.23699

201.6

[M-H]-

420.24049

204.3

[M+NH4]+

439.28159

209.0

[M+K]+

460.21093

194.6

[M+H-H2O]+

404.24503

189.4

[M+HCOO]-

466.24597

210.1

[M+CH3COO]-

480.26162

205.1

[M+Na-2H]-

442.22244

194.8

[M]+

421.24722

190.7

[M]-

421.24832

190.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-(4-(aminomethyl)piperidin-1-yl)-n-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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