CID 2772581

1-benzyl-2-(2-hydroxyethylamino)benzimidazole hydrochloride

Structural Information

Molecular Formula
C16H17N3O
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NCCO
InChI
InChI=1S/C16H17N3O/c20-11-10-17-16-18-14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13/h1-9,20H,10-12H2,(H,17,18)
InChIKey
TYPADTZAGSHYOF-UHFFFAOYSA-N
Compound name
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

267.13718 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 159.7
[M+Na]+ 290.126398 168.3
[M-H]- 266.129904 163.8
[M+NH4]+ 285.171003 175.4
[M+K]+ 306.100338 162.4
[M+H-H2O]+ 250.134440 150.8
[M+HCOO]- 312.135381 182.6
[M+CH3COO]- 326.151031 171.4
[M+Na-2H]- 288.111846 166.9
[M]+ 267.13663142 161.2
[M]- 267.13772858 161.2
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

patents stripe