CID 3044515

Brn 0630141

Structural Information

Molecular Formula

C₂₃H₂₃N₃O

SMILES

CCN1C(=C2C(=C1C3=CC=CC=C3)N(C(=O)N=C2C4=CC=CC=C4)CC)C

InChI

InChI=1S/C23H23N3O/c1-4-25-16(3)19-20(17-12-8-6-9-13-17)24-23(27)26(5-2)22(19)21(25)18-14-10-7-11-15-18/h6-15H,4-5H2,1-3H3

InChIKey

SDYMNJMGCIGMAR-UHFFFAOYSA-N

Compound name

1,6-diethyl-5-methyl-4,7-diphenylpyrrolo[3,4-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 357.1841 Da
Monoisotopic Mass: 4.3
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]+	358.191376	190.1
[M+Na]+	380.173318	201.9
[M-H]-	356.176824	198.1
[M+NH4]+	375.217923	202.0
[M+K]+	396.147258	193.7
[M+H-H2O]+	340.181360	178.9
[M+HCOO]-	402.182301	210.6
[M+CH3COO]-	416.197951	201.1
[M+Na-2H]-	378.158766	191.8
[M]+	357.18355142	194.8
[M]-	357.18464858	194.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe