PubChemLite - 618078-07-2 (C23H27N5O2)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)N2C3=C(C=C(C2=N)C(=O)NC4CCCC4)C(=O)N5C=CC=CC5=N3

InChI

InChI=1S/C23H27N5O2/c24-20-17(22(29)25-15-8-4-5-9-15)14-18-21(28(20)16-10-2-1-3-11-16)26-19-12-6-7-13-27(19)23(18)30/h6-7,12-16,24H,1-5,8-11H2,(H,25,29)

InChIKey

HSZQDZSTRYKMPZ-UHFFFAOYSA-N

Compound name

7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-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]+	406.22374	194.6
[M+Na]+	428.20568	199.8
[M-H]-	404.20918	201.4
[M+NH4]+	423.25028	203.6
[M+K]+	444.17962	192.4
[M+H-H2O]+	388.21372	182.7
[M+HCOO]-	450.21466	209.3
[M+CH3COO]-	464.23031	201.9
[M+Na-2H]-	426.19113	196.1
[M]+	405.21591	189.0
[M]-	405.21701	189.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.22374

194.6

[M+Na]+

428.20568

199.8

[M-H]-

404.20918

201.4

[M+NH4]+

423.25028

203.6

[M+K]+

444.17962

192.4

[M+H-H2O]+

388.21372

182.7

[M+HCOO]-

450.21466

209.3

[M+CH3COO]-

464.23031

201.9

[M+Na-2H]-

426.19113

196.1

[M]+

405.21591

189.0

[M]-

405.21701

189.0

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

618078-07-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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