CID 4915608

Chembl3318020

Structural Information

Molecular Formula
C29H26N4O2
SMILES
C1CCC(CC1)N=C(C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)OC(=CC5=O)C6=CC=CC=C6)N
InChI
InChI=1S/C29H26N4O2/c30-28(31-21-9-5-2-6-10-21)19-11-13-23-24(16-19)33-29(32-23)20-12-14-26-22(15-20)25(34)17-27(35-26)18-7-3-1-4-8-18/h1,3-4,7-8,11-17,21H,2,5-6,9-10H2,(H2,30,31)(H,32,33)
InChIKey
JHVZIJYERTWKDI-UHFFFAOYSA-N
Compound name
N'-cyclohexyl-2-(4-oxo-2-phenylchromen-6-yl)-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

462.20557 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21285 210.0
[M+Na]+ 485.19479 215.7
[M-H]- 461.19829 221.5
[M+NH4]+ 480.23939 215.8
[M+K]+ 501.16873 208.1
[M+H-H2O]+ 445.20283 197.3
[M+HCOO]- 507.20377 226.0
[M+CH3COO]- 521.21942 217.1
[M+Na-2H]- 483.18024 211.7
[M]+ 462.20502 206.2
[M]- 462.20612 206.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.