CID 491119

1h-benzimidazole-5-carboxamide, n-[(3,4-dimethoxyphenyl)methyl]-1-[(1s,2s)-2-hydroxycyclohexyl]-2-(2-pyridinyl)-

Structural Information

Molecular Formula
C28H30N4O4
SMILES
COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=N4)[C@H]5CCCC[C@@H]5O)OC
InChI
InChI=1S/C28H30N4O4/c1-35-25-13-10-18(15-26(25)36-2)17-30-28(34)19-11-12-22-21(16-19)31-27(20-7-5-6-14-29-20)32(22)23-8-3-4-9-24(23)33/h5-7,10-16,23-24,33H,3-4,8-9,17H2,1-2H3,(H,30,34)/t23-,24-/m0/s1
InChIKey
CTSGIBZPKATLQB-ZEQRLZLVSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]-1-[(1S,2S)-2-hydroxycyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.2267 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.23398 217.7
[M+Na]+ 509.21592 222.5
[M-H]- 485.21942 226.0
[M+NH4]+ 504.26052 221.7
[M+K]+ 525.18986 216.1
[M+H-H2O]+ 469.22396 204.6
[M+HCOO]- 531.22490 232.3
[M+CH3COO]- 545.24055 223.9
[M+Na-2H]- 507.20137 216.5
[M]+ 486.22615 218.2
[M]- 486.22725 218.2
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.