CID 3044513

Brn 0626713

Structural Information

Molecular Formula
C21H19N3O
SMILES
CCN1C2=C(NC(=C2C(=NC1=O)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C21H19N3O/c1-3-24-20-17(14(2)22-19(20)16-12-8-5-9-13-16)18(23-21(24)25)15-10-6-4-7-11-15/h4-13,22H,3H2,1-2H3
InChIKey
VOBSOGQHBKKRHX-UHFFFAOYSA-N
Compound name
1-ethyl-5-methyl-4,7-diphenyl-6H-pyrrolo[3,4-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

329.1528 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16008 180.1
[M+Na]+ 352.14202 198.7
[M+NH4]+ 347.18662 188.1
[M+K]+ 368.11596 190.8
[M-H]- 328.14552 185.9
[M+Na-2H]- 350.12747 190.6
[M]+ 329.15225 184.7
[M]- 329.15335 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe