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]+ 234.160096 153.1
[M+Na]+ 256.142038 161.7
[M-H]- 232.145544 153.9
[M+NH4]+ 251.186643 170.7
[M+K]+ 272.115978 157.3
[M+H-H2O]+ 216.150080 145.4
[M+HCOO]- 278.151021 175.6
[M+CH3COO]- 292.166671 192.4
[M+Na-2H]- 254.127486 159.4
[M]+ 233.15227142 156.1
[M]- 233.15336858 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.