CID 5279658

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

Structural Information

Molecular Formula
C22H29N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NCCN4CCCC4)C)C
InChI
InChI=1S/C22H29N5O/c1-15-12-16(2)21-19(13-15)27(14-18-20(28)7-6-17(3)24-18)22(25-21)23-8-11-26-9-4-5-10-26/h6-7,12-13,28H,4-5,8-11,14H2,1-3H3,(H,23,25)
InChIKey
WYGRKXBJIDRGKP-UHFFFAOYSA-N
Compound name
2-[[4,6-dimethyl-2-(2-pyrrolidin-1-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.2372 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.24448 194.8
[M+Na]+ 402.22642 203.1
[M-H]- 378.22992 200.1
[M+NH4]+ 397.27102 205.4
[M+K]+ 418.20036 195.8
[M+H-H2O]+ 362.23446 184.1
[M+HCOO]- 424.23540 212.0
[M+CH3COO]- 438.25105 203.6
[M+Na-2H]- 400.21187 192.8
[M]+ 379.23665 196.4
[M]- 379.23775 196.4
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.