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]+ 244.108046 153.5
[M+Na]+ 266.089988 164.6
[M-H]- 242.093494 156.8
[M+NH4]+ 261.134593 169.4
[M+K]+ 282.063928 158.9
[M+H-H2O]+ 226.098030 145.0
[M+HCOO]- 288.098971 172.5
[M+CH3COO]- 302.114621 165.7
[M+Na-2H]- 264.075436 157.8
[M]+ 243.10022142 153.1
[M]- 243.10131858 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.