CID 5279684

6-methyl-2-[[2-(3-pyrrolidin-1-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol

Structural Information

Molecular Formula
C21H27N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCCN4CCCC4
InChI
InChI=1S/C21H27N5O/c1-16-9-10-20(27)18(23-16)15-26-19-8-3-2-7-17(19)24-21(26)22-11-6-14-25-12-4-5-13-25/h2-3,7-10,27H,4-6,11-15H2,1H3,(H,22,24)
InChIKey
MTVUXAWDAGCOFR-UHFFFAOYSA-N
Compound name
6-methyl-2-[[2-(3-pyrrolidin-1-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.22156 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.22884 187.8
[M+Na]+ 388.21078 194.7
[M-H]- 364.21428 192.4
[M+NH4]+ 383.25538 198.3
[M+K]+ 404.18472 187.7
[M+H-H2O]+ 348.21882 176.6
[M+HCOO]- 410.21976 205.4
[M+CH3COO]- 424.23541 196.4
[M+Na-2H]- 386.19623 187.9
[M]+ 365.22101 188.2
[M]- 365.22211 188.2
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.