CID 381573

Nsc668361

Structural Information

Molecular Formula
C27H30N4O3
SMILES
COC1=CC(=CC(=C1O)CN2CCOCC2)CNC3=NC4=CC=CC=C4N3CC5=CC=CC=C5
InChI
InChI=1S/C27H30N4O3/c1-33-25-16-21(15-22(26(25)32)19-30-11-13-34-14-12-30)17-28-27-29-23-9-5-6-10-24(23)31(27)18-20-7-3-2-4-8-20/h2-10,15-16,32H,11-14,17-19H2,1H3,(H,28,29)
InChIKey
OYNMCGBPANWDLQ-UHFFFAOYSA-N
Compound name
4-[[(1-benzylbenzimidazol-2-yl)amino]methyl]-2-methoxy-6-(morpholin-4-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.23178 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.23906 211.6
[M+Na]+ 481.22100 216.8
[M-H]- 457.22450 220.1
[M+NH4]+ 476.26560 215.5
[M+K]+ 497.19494 210.3
[M+H-H2O]+ 441.22904 198.3
[M+HCOO]- 503.22998 226.3
[M+CH3COO]- 517.24563 218.2
[M+Na-2H]- 479.20645 212.4
[M]+ 458.23123 211.8
[M]- 458.23233 211.8
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.