CID 5279680

2-[[2-(cyclohexylamino)-5,7-dimethyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C22H28N4O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=C(C=C(C=C3N=C2NC4CCCCC4)C)C
InChI
InChI=1S/C22H28N4O/c1-14-11-15(2)21-18(12-14)25-22(24-17-7-5-4-6-8-17)26(21)13-19-20(27)10-9-16(3)23-19/h9-12,17,27H,4-8,13H2,1-3H3,(H,24,25)
InChIKey
ACFGTJVDYSXSKV-UHFFFAOYSA-N
Compound name
2-[[2-(cyclohexylamino)-5,7-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.22632 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.23360 191.8
[M+Na]+ 387.21554 199.5
[M-H]- 363.21904 197.5
[M+NH4]+ 382.26014 202.4
[M+K]+ 403.18948 192.0
[M+H-H2O]+ 347.22358 180.9
[M+HCOO]- 409.22452 208.0
[M+CH3COO]- 423.24017 200.6
[M+Na-2H]- 385.20099 191.8
[M]+ 364.22577 190.5
[M]- 364.22687 190.5
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.