CID 96755

74051-49-3

Structural Information

Molecular Formula
C14H16ClN3O3
SMILES
CC1=CC(=CC(=C1O)CN(C)CN2C(=O)C=CNC2=O)Cl
InChI
InChI=1S/C14H16ClN3O3/c1-9-5-11(15)6-10(13(9)20)7-17(2)8-18-12(19)3-4-16-14(18)21/h3-6,20H,7-8H2,1-2H3,(H,16,21)
InChIKey
APNHUNFNDKBIGO-UHFFFAOYSA-N
Compound name
3-[[(5-chloro-2-hydroxy-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.088 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09528 168.1
[M+Na]+ 332.07722 182.7
[M+NH4]+ 327.12182 174.0
[M+K]+ 348.05116 176.5
[M-H]- 308.08072 170.4
[M+Na-2H]- 330.06267 174.8
[M]+ 309.08745 171.0
[M]- 309.08855 171.0
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.