CID 236793

6953-81-7

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: 11
Patents: 216.08987 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.09715	147.3
[M+Na]+	239.07909	159.6
[M+NH4]+	234.12369	155.1
[M+K]+	255.05303	155.5
[M-H]-	215.08259	150.7
[M+Na-2H]-	237.06454	154.4
[M]+	216.08932	149.8
[M]-	216.09042	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe