CID 5279690

2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C24H26N4O3
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C24H26N4O3/c1-16-8-10-21(29)19(26-16)15-28-20-7-5-4-6-18(20)27-24(28)25-13-12-17-9-11-22(30-2)23(14-17)31-3/h4-11,14,29H,12-13,15H2,1-3H3,(H,25,27)
InChIKey
ZVNYVUOHHQUKER-UHFFFAOYSA-N
Compound name
2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2005 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20778 203.2
[M+Na]+ 441.18972 212.2
[M-H]- 417.19322 209.8
[M+NH4]+ 436.23432 211.4
[M+K]+ 457.16366 205.4
[M+H-H2O]+ 401.19776 191.5
[M+HCOO]- 463.19870 223.1
[M+CH3COO]- 477.21435 212.2
[M+Na-2H]- 439.17517 205.4
[M]+ 418.19995 209.3
[M]- 418.20105 209.3
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.