CID 135417395

Brn 0621044

Structural Information

Molecular Formula
C19H15N3O
SMILES
CC1=C2C(=C(N1)C3=CC=CC=C3)N=C(NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H15N3O/c1-12-15-17(16(20-12)13-8-4-2-5-9-13)21-18(22-19(15)23)14-10-6-3-7-11-14/h2-11,20H,1H3,(H,21,22,23)
InChIKey
YZTHPWCJXLTWAN-UHFFFAOYSA-N
Compound name
5-methyl-2,7-diphenyl-3,6-dihydropyrrolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.12152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.128796 170.8
[M+Na]+ 324.110738 181.9
[M-H]- 300.114244 176.2
[M+NH4]+ 319.155343 183.2
[M+K]+ 340.084678 172.9
[M+H-H2O]+ 284.118780 160.8
[M+HCOO]- 346.119721 189.9
[M+CH3COO]- 360.135371 181.7
[M+Na-2H]- 322.096186 175.7
[M]+ 301.12097142 170.0
[M]- 301.12206858 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