CID 5279661

2-[[4,6-dimethyl-2-[2-(1-methylpyrrolidin-2-yl)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=C2NCCC4CCCN4C)C)C
InChI
InChI=1S/C23H31N5O/c1-15-12-16(2)22-20(13-15)28(14-19-21(29)8-7-17(3)25-19)23(26-22)24-10-9-18-6-5-11-27(18)4/h7-8,12-13,18,29H,5-6,9-11,14H2,1-4H3,(H,24,26)
InChIKey
TVUXEAGUGPPOKN-UHFFFAOYSA-N
Compound name
2-[[4,6-dimethyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]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 200.3
[M+Na]+ 416.24209 209.0
[M-H]- 392.24559 205.8
[M+NH4]+ 411.28669 210.6
[M+K]+ 432.21603 201.5
[M+H-H2O]+ 376.25013 189.8
[M+HCOO]- 438.25107 217.1
[M+CH3COO]- 452.26672 209.0
[M+Na-2H]- 414.22754 197.0
[M]+ 393.25232 202.6
[M]- 393.25342 202.6
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.