CID 5275984

Schembl4130712

Structural Information

Molecular Formula
C29H26N4O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=CC=C(C=C6)N
InChI
InChI=1S/C29H26N4O2/c30-22-11-6-18(7-12-22)24-13-8-19-16-20(9-14-25(19)31-24)28-32-26-17-21(29(34)35)10-15-27(26)33(28)23-4-2-1-3-5-23/h6-17,23H,1-5,30H2,(H,34,35)
InChIKey
ZIPJVALXFNQYOE-UHFFFAOYSA-N
Compound name
2-[2-(4-aminophenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

462.20557 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21285 212.5
[M+Na]+ 485.19479 218.5
[M-H]- 461.19829 221.1
[M+NH4]+ 480.23939 217.9
[M+K]+ 501.16873 209.5
[M+H-H2O]+ 445.20283 199.3
[M+HCOO]- 507.20377 225.2
[M+CH3COO]- 521.21942 218.7
[M+Na-2H]- 483.18024 212.0
[M]+ 462.20502 208.4
[M]- 462.20612 208.4
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.