CID 19438633

146426-00-8

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

CN(CCCN1C(=O)C=CC1=O)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2/c1-15(12-6-3-2-4-7-12)10-5-11-16-13(17)8-9-14(16)18/h2-4,6-9H,5,10-11H2,1H3

InChIKey

DBJCHYFZMPMUGF-UHFFFAOYSA-N

Compound name

1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 244.12119 Da
Monoisotopic Mass: 1.7
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]+	245.12847	155.0
[M+Na]+	267.11041	162.0
[M-H]-	243.11391	161.7
[M+NH4]+	262.15501	173.0
[M+K]+	283.08435	159.6
[M+H-H2O]+	227.11845	146.8
[M+HCOO]-	289.11939	179.8
[M+CH3COO]-	303.13504	197.8
[M+Na-2H]-	265.09586	157.9
[M]+	244.12064	156.7
[M]-	244.12174	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe