CID 3053674

Brn 1477057

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
CC1=C(C=CC=C1Cl)NCN2C(=O)CCC2=O
InChI
InChI=1S/C12H13ClN2O2/c1-8-9(13)3-2-4-10(8)14-7-15-11(16)5-6-12(15)17/h2-4,14H,5-7H2,1H3
InChIKey
PQYFBJSDUZWDEE-UHFFFAOYSA-N
Compound name
1-[(3-chloro-2-methylanilino)methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06656 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.073836 155.2
[M+Na]+ 275.055778 164.5
[M-H]- 251.059284 160.9
[M+NH4]+ 270.100383 173.6
[M+K]+ 291.029718 159.5
[M+H-H2O]+ 235.063820 148.6
[M+HCOO]- 297.064761 173.9
[M+CH3COO]- 311.080411 194.9
[M+Na-2H]- 273.041226 156.8
[M]+ 252.06601142 156.2
[M]- 252.06710858 156.2
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.