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]+ 329.105146 176.7
[M+Na]+ 351.087088 185.5
[M-H]- 327.090594 183.3
[M+NH4]+ 346.131693 188.6
[M+K]+ 367.061028 178.6
[M+H-H2O]+ 311.095130 166.6
[M+HCOO]- 373.096071 189.9
[M+CH3COO]- 387.111721 186.9
[M+Na-2H]- 349.072536 177.7
[M]+ 328.09732142 176.6
[M]- 328.09841858 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.