CID 2810866

Oprea1_598840

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CC1=C(C(=NO1)C)NC(=O)N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C17H22N4O2/c1-13-16(14(2)23-19-13)18-17(22)21-10-8-20(9-11-21)12-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,18,22)
InChIKey
MDGJQIRKBQHAMK-UHFFFAOYSA-N
Compound name
4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

314.1743 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.181576 176.6
[M+Na]+ 337.163518 182.1
[M-H]- 313.167024 182.6
[M+NH4]+ 332.208123 186.8
[M+K]+ 353.137458 178.8
[M+H-H2O]+ 297.171560 165.9
[M+HCOO]- 359.172501 193.5
[M+CH3COO]- 373.188151 186.1
[M+Na-2H]- 335.148966 177.3
[M]+ 314.17375142 174.6
[M]- 314.17484858 174.6
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.