CID 206371

49786-34-7

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CN1C2=C(CCC2)C(=O)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C14H14N2O2/c1-15-12-9-5-8-11(12)13(17)16(14(15)18)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey
GFMJXPZJHNYZSZ-UHFFFAOYSA-N
Compound name
1-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 152.2
[M+Na]+ 265.09475 163.3
[M-H]- 241.09825 158.1
[M+NH4]+ 260.13935 170.3
[M+K]+ 281.06869 158.5
[M+H-H2O]+ 225.10279 144.1
[M+HCOO]- 287.10373 173.8
[M+CH3COO]- 301.11938 165.5
[M+Na-2H]- 263.08020 156.6
[M]+ 242.10498 153.4
[M]- 242.10608 153.4
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.