CID 5278810

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

Structural Information

Molecular Formula
C30H36N4O3
SMILES
CC(CO)(CO)NC(=O)C1=CC2=C(C=C1)N(C(=N2)NCC3=CC=CC4=CC=CC=C43)C5CCCCCC5
InChI
InChI=1S/C30H36N4O3/c1-30(19-35,20-36)33-28(37)22-15-16-27-26(17-22)32-29(34(27)24-12-4-2-3-5-13-24)31-18-23-11-8-10-21-9-6-7-14-25(21)23/h6-11,14-17,24,35-36H,2-5,12-13,18-20H2,1H3,(H,31,32)(H,33,37)
InChIKey
PZAQVQQRYOMFHA-UHFFFAOYSA-N
Compound name
1-cycloheptyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-(naphthalen-1-ylmethylamino)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.27875 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.28603 223.6
[M+Na]+ 523.26797 225.3
[M-H]- 499.27147 230.4
[M+NH4]+ 518.31257 228.7
[M+K]+ 539.24191 223.3
[M+H-H2O]+ 483.27601 213.7
[M+HCOO]- 545.27695 235.5
[M+CH3COO]- 559.29260 228.2
[M+Na-2H]- 521.25342 224.8
[M]+ 500.27820 218.4
[M]- 500.27930 218.4
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.