CID 6476734

1-cyclohexyl-n-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(e)-styryl]benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C32H35N3O3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)N(C(=N3)/C=C/C4=CC=CC=C4)C5CCCCC5)OC
InChI
InChI=1S/C32H35N3O3/c1-37-29-17-13-24(21-30(29)38-2)19-20-33-32(36)25-15-16-28-27(22-25)34-31(18-14-23-9-5-3-6-10-23)35(28)26-11-7-4-8-12-26/h3,5-6,9-10,13-18,21-22,26H,4,7-8,11-12,19-20H2,1-2H3,(H,33,36)/b18-14+
InChIKey
HPYJAFNCXLAXHJ-NBVRZTHBSA-N
Compound name
1-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(E)-2-phenylethenyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.26785 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.27513 228.1
[M+Na]+ 532.25707 231.3
[M-H]- 508.26057 237.7
[M+NH4]+ 527.30167 232.9
[M+K]+ 548.23101 223.6
[M+H-H2O]+ 492.26511 214.4
[M+HCOO]- 554.26605 244.0
[M+CH3COO]- 568.28170 233.7
[M+Na-2H]- 530.24252 225.3
[M]+ 509.26730 228.2
[M]- 509.26840 228.2
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.