CID 3044518

Brn 0618635

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CC1=C2C(=C(N1)C3=CC=CC=C3)NC(=O)N(C2=O)C
InChI
InChI=1S/C14H13N3O2/c1-8-10-12(16-14(19)17(2)13(10)18)11(15-8)9-6-4-3-5-7-9/h3-7,15H,1-2H3,(H,16,19)
InChIKey
SQOXLCDDDYUCCZ-UHFFFAOYSA-N
Compound name
3,5-dimethyl-7-phenyl-1,6-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.108046 156.8
[M+Na]+ 278.089988 169.9
[M-H]- 254.093494 159.8
[M+NH4]+ 273.134593 172.0
[M+K]+ 294.063928 162.8
[M+H-H2O]+ 238.098030 148.8
[M+HCOO]- 300.098971 176.8
[M+CH3COO]- 314.114621 169.3
[M+Na-2H]- 276.075436 161.3
[M]+ 255.10022142 158.2
[M]- 255.10131858 158.2
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.