CID 206371

1h-cyclopentapyrimidine-2,4(3h,5h)-dione, 6,7-dihydro-1-methyl-3-phenyl-

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.112806	152.2
[M+Na]+	265.094748	163.3
[M-H]-	241.098254	158.1
[M+NH4]+	260.139353	170.3
[M+K]+	281.068688	158.5
[M+H-H2O]+	225.102790	144.1
[M+HCOO]-	287.103731	173.8
[M+CH3COO]-	301.119381	165.5
[M+Na-2H]-	263.080196	156.6
[M]+	242.10498142	153.4
[M]-	242.10607858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.