CID 202897

Brn 0692560

Structural Information

Molecular Formula
C18H17ClN2O2
SMILES
CC1=C(C=C(C=C1)N2C(=O)CN(CC2=O)CC3=CC=CC=C3)Cl
InChI
InChI=1S/C18H17ClN2O2/c1-13-7-8-15(9-16(13)19)21-17(22)11-20(12-18(21)23)10-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3
InChIKey
QCJXRCGKGMUOEV-UHFFFAOYSA-N
Compound name
4-benzyl-1-(3-chloro-4-methylphenyl)piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.09787 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10515 176.7
[M+Na]+ 351.08709 185.5
[M-H]- 327.09059 183.3
[M+NH4]+ 346.13169 188.6
[M+K]+ 367.06103 178.6
[M+H-H2O]+ 311.09513 166.6
[M+HCOO]- 373.09607 189.9
[M+CH3COO]- 387.11172 186.9
[M+Na-2H]- 349.07254 177.7
[M]+ 328.09732 176.6
[M]- 328.09842 176.6
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.