CID 165588548

2731007-33-1

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 166.8
[M+Na]+ 307.15292 180.4
[M+NH4]+ 302.19752 174.0
[M+K]+ 323.12686 177.3
[M-H]- 283.15642 171.0
[M+Na-2H]- 305.13837 172.4
[M]+ 284.16315 169.9
[M]- 284.16425 169.9
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.