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 153.1
[M+Na]+ 256.14204 161.7
[M-H]- 232.14554 153.9
[M+NH4]+ 251.18664 170.7
[M+K]+ 272.11598 157.3
[M+H-H2O]+ 216.15008 145.4
[M+HCOO]- 278.15102 175.6
[M+CH3COO]- 292.16667 192.4
[M+Na-2H]- 254.12749 159.4
[M]+ 233.15227 156.1
[M]- 233.15337 156.1
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.