CID 165588548

2-{1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C16H20N4O
SMILES
CC1=C(C(=NO1)C)CCN2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C16H20N4O/c1-11-13(12(2)21-19-11)8-10-20-15-6-4-3-5-14(15)18-16(20)7-9-17/h3-6H,7-10,17H2,1-2H3
InChIKey
BQYHZIRYTQSRFE-UHFFFAOYSA-N
Compound name
2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1637 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17098 167.7
[M+Na]+ 307.15292 178.5
[M-H]- 283.15642 172.9
[M+NH4]+ 302.19752 183.0
[M+K]+ 323.12686 174.3
[M+H-H2O]+ 267.16096 159.1
[M+HCOO]- 329.16190 189.9
[M+CH3COO]- 343.17755 180.0
[M+Na-2H]- 305.13837 170.0
[M]+ 284.16315 172.8
[M]- 284.16425 172.8
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

No patent data available for this compound.