PubChemLite - Chembl570786 (C26H26N4O3)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)NO)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3/c31-26(29-32)23-16-28-30-24(20-9-5-2-6-10-20)22(15-27-25(23)30)19-11-13-21(14-12-19)33-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20,32H,2,5-6,9-10,17H2,(H,29,31)

InChIKey

VOISSJDIBLPWCP-UHFFFAOYSA-N

Compound name

7-cyclohexyl-N-hydroxy-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

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]+	443.20778	204.3
[M+Na]+	465.18972	208.7
[M-H]-	441.19322	212.1
[M+NH4]+	460.23432	209.7
[M+K]+	481.16366	201.5
[M+H-H2O]+	425.19776	191.3
[M+HCOO]-	487.19870	219.5
[M+CH3COO]-	501.21435	211.0
[M+Na-2H]-	463.17517	205.4
[M]+	442.19995	201.9
[M]-	442.20105	201.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.20778

204.3

[M+Na]+

465.18972

208.7

[M-H]-

441.19322

212.1

[M+NH4]+

460.23432

209.7

[M+K]+

481.16366

201.5

[M+H-H2O]+

425.19776

191.3

[M+HCOO]-

487.19870

219.5

[M+CH3COO]-

501.21435

211.0

[M+Na-2H]-

463.17517

205.4

[M]+

442.19995

201.9

[M]-

442.20105

201.9

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

Chembl570786

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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