CID 3044512

Brn 0621039

Structural Information

Molecular Formula
C19H15N3O
SMILES
CC1=C2C(=C(N1)C3=CC=CC=C3)NC(=O)N=C2C4=CC=CC=C4
InChI
InChI=1S/C19H15N3O/c1-12-15-16(13-8-4-2-5-9-13)21-19(23)22-18(15)17(20-12)14-10-6-3-7-11-14/h2-11,20H,1H3,(H,22,23)
InChIKey
YGTWSYNYIPBFSS-UHFFFAOYSA-N
Compound name
5-methyl-4,7-diphenyl-1,6-dihydropyrrolo[3,4-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.12152 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12880 171.3
[M+Na]+ 324.11074 189.3
[M+NH4]+ 319.15534 179.2
[M+K]+ 340.08468 182.0
[M-H]- 300.11424 176.5
[M+Na-2H]- 322.09619 181.9
[M]+ 301.12097 175.5
[M]- 301.12207 175.5
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