CID 5279681

6-methyl-2-[[2-[3-(1-piperidyl)propylamino]benzimidazol-1-yl]methyl]pyridin-3-ol

Structural Information

Molecular Formula
C22H29N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCCN4CCCCC4
InChI
InChI=1S/C22H29N5O/c1-17-10-11-21(28)19(24-17)16-27-20-9-4-3-8-18(20)25-22(27)23-12-7-15-26-13-5-2-6-14-26/h3-4,8-11,28H,2,5-7,12-16H2,1H3,(H,23,25)
InChIKey
STGUNXXIJUCGQY-UHFFFAOYSA-N
Compound name
6-methyl-2-[[2-(3-piperidin-1-ylpropylamino)benzimidazol-1-yl]methyl]pyridin-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 193.6
[M+Na]+ 402.22642 199.4
[M-H]- 378.22992 197.1
[M+NH4]+ 397.27102 201.5
[M+K]+ 418.20036 191.5
[M+H-H2O]+ 362.23446 181.3
[M+HCOO]- 424.23540 208.4
[M+CH3COO]- 438.25105 200.9
[M+Na-2H]- 400.21187 195.2
[M]+ 379.23665 191.9
[M]- 379.23775 191.9
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.