CID 204267

16018-61-4

Structural Information

Molecular Formula
C13H13ClN4O
SMILES
CC1=CC(=NC(=N1)NC(=O)NC2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C13H13ClN4O/c1-8-7-9(2)16-12(15-8)18-13(19)17-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H2,15,16,17,18,19)
InChIKey
OAAPSDLSJPQFTI-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

276.0778 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08508 162.1
[M+Na]+ 299.06702 171.1
[M-H]- 275.07052 166.6
[M+NH4]+ 294.11162 176.1
[M+K]+ 315.04096 165.6
[M+H-H2O]+ 259.07506 153.5
[M+HCOO]- 321.07600 181.0
[M+CH3COO]- 335.09165 202.2
[M+Na-2H]- 297.05247 167.8
[M]+ 276.07725 163.7
[M]- 276.07835 163.7
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.