CID 5279731

Chembl243333

Structural Information

Molecular Formula
C25H35N5O
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCC(C)C)CC4=C(C=CC(=N4)C)O
InChI
InChI=1S/C25H35N5O/c1-17(2)10-13-29-14-11-20(12-15-29)27-25-28-24-18(3)6-5-7-22(24)30(25)16-21-23(31)9-8-19(4)26-21/h5-9,17,20,31H,10-16H2,1-4H3,(H,27,28)
InChIKey
JMUKTIHTIAICEZ-UHFFFAOYSA-N
Compound name
6-methyl-2-[[4-methyl-2-[[1-(3-methylbutyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.28415 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.29143 209.3
[M+Na]+ 444.27337 215.1
[M-H]- 420.27687 213.1
[M+NH4]+ 439.31797 215.9
[M+K]+ 460.24731 207.3
[M+H-H2O]+ 404.28141 197.2
[M+HCOO]- 466.28235 221.9
[M+CH3COO]- 480.29800 215.7
[M+Na-2H]- 442.25882 206.6
[M]+ 421.28360 208.8
[M]- 421.28470 208.8
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.