CID 3066874

Ethanol, 2-((1-butyl-1h-benzimidazol-2-yl)amino)-, monohydrochloride

Structural Information

Molecular Formula
C13H19N3O
SMILES
CCCCN1C2=CC=CC=C2N=C1NCCO
InChI
InChI=1S/C13H19N3O/c1-2-3-9-16-12-7-5-4-6-11(12)15-13(16)14-8-10-17/h4-7,17H,2-3,8-10H2,1H3,(H,14,15)
InChIKey
DQRYCBUYLNZQGH-UHFFFAOYSA-N
Compound name
2-[(1-butylbenzimidazol-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

233.15282 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16010 153.6
[M+Na]+ 256.14204 165.6
[M+NH4]+ 251.18664 161.0
[M+K]+ 272.11598 160.2
[M-H]- 232.14554 154.8
[M+Na-2H]- 254.12749 159.0
[M]+ 233.15227 155.5
[M]- 233.15337 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.