CID 5279662

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

Structural Information

Molecular Formula
C23H31N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NCCN4CCCCC4)C)C
InChI
InChI=1S/C23H31N5O/c1-16-13-17(2)22-20(14-16)28(15-19-21(29)8-7-18(3)25-19)23(26-22)24-9-12-27-10-5-4-6-11-27/h7-8,13-14,29H,4-6,9-12,15H2,1-3H3,(H,24,26)
InChIKey
AABDYTNJTQKLNQ-UHFFFAOYSA-N
Compound name
2-[[4,6-dimethyl-2-(2-piperidin-1-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.25287 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.26015 201.0
[M+Na]+ 416.24209 208.1
[M-H]- 392.24559 205.1
[M+NH4]+ 411.28669 208.9
[M+K]+ 432.21603 200.1
[M+H-H2O]+ 376.25013 189.0
[M+HCOO]- 438.25107 215.3
[M+CH3COO]- 452.26672 208.4
[M+Na-2H]- 414.22754 200.3
[M]+ 393.25232 200.4
[M]- 393.25342 200.4
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.