CID 5278803

1-cycloheptyl-n-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]-2-(o-tolylmethylamino)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C27H36N4O3
SMILES
CC1=CC=CC=C1CNC2=NC3=C(N2C4CCCCCC4)C=CC(=C3)C(=O)NC(C)(CO)CO
InChI
InChI=1S/C27H36N4O3/c1-19-9-7-8-10-21(19)16-28-26-29-23-15-20(25(34)30-27(2,17-32)18-33)13-14-24(23)31(26)22-11-5-3-4-6-12-22/h7-10,13-15,22,32-33H,3-6,11-12,16-18H2,1-2H3,(H,28,29)(H,30,34)
InChIKey
GETXRXOXGMJGPZ-UHFFFAOYSA-N
Compound name
1-cycloheptyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[(2-methylphenyl)methylamino]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.27875 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.28603 216.1
[M+Na]+ 487.26797 217.5
[M-H]- 463.27147 222.2
[M+NH4]+ 482.31257 221.9
[M+K]+ 503.24191 216.7
[M+H-H2O]+ 447.27601 206.0
[M+HCOO]- 509.27695 229.3
[M+CH3COO]- 523.29260 235.2
[M+Na-2H]- 485.25342 215.7
[M]+ 464.27820 211.0
[M]- 464.27930 211.0
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.