CID 208358

5-iodo-3,6-dimethyl-1-phenylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula

C₁₂H₁₁IN₂O₂

SMILES

CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)C)I

InChI

InChI=1S/C12H11IN2O2/c1-8-10(13)11(16)14(2)12(17)15(8)9-6-4-3-5-7-9/h3-7H,1-2H3

InChIKey

BPIZQCUJUQUTMI-UHFFFAOYSA-N

Compound name

5-iodo-3,6-dimethyl-1-phenylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 341.98654 Da
Monoisotopic Mass: 2.0
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]+	342.993816	152.9
[M+Na]+	364.975758	157.8
[M-H]-	340.979264	151.0
[M+NH4]+	360.020363	164.0
[M+K]+	380.949698	159.7
[M+H-H2O]+	324.983800	141.2
[M+HCOO]-	386.984741	170.6
[M+CH3COO]-	401.000391	200.5
[M+Na-2H]-	362.961206	146.5
[M]+	341.98599142	153.0
[M]-	341.98708858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.