CID 5278809

1-cycloheptyl-n-(2-hydroxy-1-methyl-ethyl)-2-(1-naphthylmethylamino)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C29H34N4O2
SMILES
CC(CO)NC(=O)C1=CC2=C(C=C1)N(C(=N2)NCC3=CC=CC4=CC=CC=C43)C5CCCCCC5
InChI
InChI=1S/C29H34N4O2/c1-20(19-34)31-28(35)22-15-16-27-26(17-22)32-29(33(27)24-12-4-2-3-5-13-24)30-18-23-11-8-10-21-9-6-7-14-25(21)23/h6-11,14-17,20,24,34H,2-5,12-13,18-19H2,1H3,(H,30,32)(H,31,35)
InChIKey
KIHNVWCHTFTEGQ-UHFFFAOYSA-N
Compound name
1-cycloheptyl-N-(1-hydroxypropan-2-yl)-2-(naphthalen-1-ylmethylamino)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.2682 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.27548 216.6
[M+Na]+ 493.25742 218.9
[M-H]- 469.26092 224.6
[M+NH4]+ 488.30202 223.5
[M+K]+ 509.23136 216.4
[M+H-H2O]+ 453.26546 206.2
[M+HCOO]- 515.26640 230.7
[M+CH3COO]- 529.28205 222.1
[M+Na-2H]- 491.24287 216.2
[M]+ 470.26765 211.3
[M]- 470.26875 211.3
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.