CID 82483177

1-butyl-2-(piperidin-4-yl)-1h-1,3-benzodiazole dihydrochloride

Structural Information

Molecular Formula
C16H23N3
SMILES
CCCCN1C2=CC=CC=C2N=C1C3CCNCC3
InChI
InChI=1S/C16H23N3/c1-2-3-12-19-15-7-5-4-6-14(15)18-16(19)13-8-10-17-11-9-13/h4-7,13,17H,2-3,8-12H2,1H3
InChIKey
LNNATDIRWFLEOP-UHFFFAOYSA-N
Compound name
1-butyl-2-piperidin-4-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.1892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.19648 162.8
[M+Na]+ 280.17842 169.3
[M-H]- 256.18192 164.2
[M+NH4]+ 275.22302 177.7
[M+K]+ 296.15236 163.3
[M+H-H2O]+ 240.18646 153.1
[M+HCOO]- 302.18740 178.7
[M+CH3COO]- 316.20305 172.6
[M+Na-2H]- 278.16387 165.9
[M]+ 257.18865 159.7
[M]- 257.18975 159.7
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