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 170.8
[M+Na]+ 324.11074 181.9
[M-H]- 300.11424 176.2
[M+NH4]+ 319.15534 183.2
[M+K]+ 340.08468 172.9
[M+H-H2O]+ 284.11878 160.8
[M+HCOO]- 346.11972 189.9
[M+CH3COO]- 360.13537 181.7
[M+Na-2H]- 322.09619 175.7
[M]+ 301.12097 170.0
[M]- 301.12207 170.0
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