CID 236793

1-[4-(dimethylamino)phenyl]-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CN(C)C1=CC=C(C=C1)N2C(=O)C=CC2=O
InChI
InChI=1S/C12H12N2O2/c1-13(2)9-3-5-10(6-4-9)14-11(15)7-8-12(14)16/h3-8H,1-2H3
InChIKey
MHVRYJCBHSCENI-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

216.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 145.2
[M+Na]+ 239.079088 154.1
[M-H]- 215.082594 152.8
[M+NH4]+ 234.123693 164.8
[M+K]+ 255.053028 152.2
[M+H-H2O]+ 199.087130 137.8
[M+HCOO]- 261.088071 170.7
[M+CH3COO]- 275.103721 193.0
[M+Na-2H]- 237.064536 148.5
[M]+ 216.08932142 146.7
[M]- 216.09041858 146.7
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

patents stripe