CID 1544511

Benzimidazole, 2-(3-(piperidino)propyl)-, hydrochloride, hydrate

Structural Information

Molecular Formula
C15H21N3
SMILES
C1CCN(CC1)CCCC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H21N3/c1-4-10-18(11-5-1)12-6-9-15-16-13-7-2-3-8-14(13)17-15/h2-3,7-8H,1,4-6,9-12H2,(H,16,17)
InChIKey
HYGBHJLTBPTDMR-UHFFFAOYSA-N
Compound name
2-(3-piperidin-1-ylpropyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

243.17355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.18083 157.6
[M+Na]+ 266.16277 163.6
[M-H]- 242.16627 158.8
[M+NH4]+ 261.20737 172.7
[M+K]+ 282.13671 157.8
[M+H-H2O]+ 226.17081 147.8
[M+HCOO]- 288.17175 173.9
[M+CH3COO]- 302.18740 167.5
[M+Na-2H]- 264.14822 162.0
[M]+ 243.17300 153.7
[M]- 243.17410 153.7
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

patents stripe