CID 3044511

Brn 0614670

Structural Information

Molecular Formula
C14H13N3O
SMILES
CC1=C2C(=NC(=O)NC2=C(N1)C3=CC=CC=C3)C
InChI
InChI=1S/C14H13N3O/c1-8-11-9(2)16-14(18)17-13(11)12(15-8)10-6-4-3-5-7-10/h3-7,15H,1-2H3,(H,17,18)
InChIKey
OHZBZDYLKYDXSH-UHFFFAOYSA-N
Compound name
4,5-dimethyl-7-phenyl-1,6-dihydropyrrolo[3,4-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.10587 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.113146 153.8
[M+Na]+ 262.095088 166.0
[M-H]- 238.098594 156.4
[M+NH4]+ 257.139693 169.5
[M+K]+ 278.069028 158.8
[M+H-H2O]+ 222.103130 145.6
[M+HCOO]- 284.104071 173.5
[M+CH3COO]- 298.119721 166.1
[M+Na-2H]- 260.080536 159.1
[M]+ 239.10532142 154.1
[M]- 239.10641858 154.1
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

No patent data available for this compound.