CID 217948

39929-87-8

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CN1C(=O)C2=C(NCC2)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C13H13N3O2/c1-15-12(17)10-7-8-14-11(10)16(13(15)18)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3
InChIKey
FTCNLEZDRBLWTG-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 153.5
[M+Na]+ 266.08999 164.6
[M-H]- 242.09349 156.8
[M+NH4]+ 261.13459 169.4
[M+K]+ 282.06393 158.9
[M+H-H2O]+ 226.09803 145.0
[M+HCOO]- 288.09897 172.5
[M+CH3COO]- 302.11462 165.7
[M+Na-2H]- 264.07544 157.8
[M]+ 243.10022 153.1
[M]- 243.10132 153.1
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.