CID 5279674

Chembl243778

Structural Information

Molecular Formula
C24H26N4O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NCCC4=CC=CC=C4)C)C
InChI
InChI=1S/C24H26N4O/c1-16-13-17(2)23-21(14-16)28(15-20-22(29)10-9-18(3)26-20)24(27-23)25-12-11-19-7-5-4-6-8-19/h4-10,13-14,29H,11-12,15H2,1-3H3,(H,25,27)
InChIKey
HLGWGMNUXMHXFV-UHFFFAOYSA-N
Compound name
2-[[4,6-dimethyl-2-(2-phenylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.21066 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21794 197.9
[M+Na]+ 409.19988 207.6
[M-H]- 385.20338 204.5
[M+NH4]+ 404.24448 207.7
[M+K]+ 425.17382 199.2
[M+H-H2O]+ 369.20792 186.7
[M+HCOO]- 431.20886 217.6
[M+CH3COO]- 445.22451 207.3
[M+Na-2H]- 407.18533 199.8
[M]+ 386.21011 201.4
[M]- 386.21121 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.