CID 6449086

178408-16-7

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1=CC=C(C=C1)C(=O)/C=C\2/C(=O)N(CCN2)C
InChI
InChI=1S/C14H16N2O2/c1-10-3-5-11(6-4-10)13(17)9-12-14(18)16(2)8-7-15-12/h3-6,9,15H,7-8H2,1-2H3/b12-9-
InChIKey
KSTKBIKZMQMAMQ-XFXZXTDPSA-N
Compound name
(3Z)-1-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 156.9
[M+Na]+ 267.11041 163.4
[M-H]- 243.11391 159.1
[M+NH4]+ 262.15501 170.8
[M+K]+ 283.08435 158.7
[M+H-H2O]+ 227.11845 148.6
[M+HCOO]- 289.11939 172.8
[M+CH3COO]- 303.13504 191.2
[M+Na-2H]- 265.09586 158.2
[M]+ 244.12064 152.1
[M]- 244.12174 152.1
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.