CID 2865431

317814-61-2

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC1=C(C(=CC=C1)N2C(=O)CC(C2=O)N(C3=CC=CC=C3)O)C
InChI
InChI=1S/C18H18N2O3/c1-12-7-6-10-15(13(12)2)19-17(21)11-16(18(19)22)20(23)14-8-4-3-5-9-14/h3-10,16,23H,11H2,1-2H3
InChIKey
WEBHNVWNYDVDCW-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

310.13174 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 171.2
[M+Na]+ 333.120958 178.8
[M-H]- 309.124464 180.4
[M+NH4]+ 328.165563 186.0
[M+K]+ 349.094898 175.0
[M+H-H2O]+ 293.129000 162.5
[M+HCOO]- 355.129941 193.2
[M+CH3COO]- 369.145591 209.5
[M+Na-2H]- 331.106406 170.9
[M]+ 310.13119142 171.1
[M]- 310.13228858 171.1
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.