CID 100292

57436-21-2

Structural Information

Molecular Formula

C₁₉H₁₅N₃O₂

SMILES

CC1=C2C(=C(N1)C3=CC=CC=C3)NC(=O)N(C2=O)C4=CC=CC=C4

InChI

InChI=1S/C19H15N3O2/c1-12-15-17(16(20-12)13-8-4-2-5-9-13)21-19(24)22(18(15)23)14-10-6-3-7-11-14/h2-11,20H,1H3,(H,21,24)

InChIKey

KOINPIFMCMFTIB-UHFFFAOYSA-N

Compound name

5-methyl-3,7-diphenyl-1,6-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 317.11642 Da
Monoisotopic Mass: 3.0
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]+	318.123696	174.3
[M+Na]+	340.105638	186.3
[M-H]-	316.109144	180.2
[M+NH4]+	335.150243	186.2
[M+K]+	356.079578	177.5
[M+H-H2O]+	300.113680	164.5
[M+HCOO]-	362.114621	193.7
[M+CH3COO]-	376.130271	185.4
[M+Na-2H]-	338.091086	178.4
[M]+	317.11587142	174.7
[M]-	317.11696858	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe