CID 491112

1-cyclohexyl-2-[4-(2-morpholino-2-oxo-ethoxy)phenyl]benzimidazole-5-carboxylic acid

Structural Information

Molecular Formula
C26H29N3O5
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)OCC(=O)N5CCOCC5
InChI
InChI=1S/C26H29N3O5/c30-24(28-12-14-33-15-13-28)17-34-21-9-6-18(7-10-21)25-27-22-16-19(26(31)32)8-11-23(22)29(25)20-4-2-1-3-5-20/h6-11,16,20H,1-5,12-15,17H2,(H,31,32)
InChIKey
QAJYMQJTXMHQKM-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.21072 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.21800 209.4
[M+Na]+ 486.19994 211.4
[M-H]- 462.20344 216.8
[M+NH4]+ 481.24454 212.4
[M+K]+ 502.17388 207.3
[M+H-H2O]+ 446.20798 196.8
[M+HCOO]- 508.20892 217.9
[M+CH3COO]- 522.22457 214.7
[M+Na-2H]- 484.18539 206.0
[M]+ 463.21017 205.5
[M]- 463.21127 205.5
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.