CID 4148715

106472-36-0

Structural Information

Molecular Formula
C13H12Cl2N4O
SMILES
CC1=CC(=NC(=N1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C13H12Cl2N4O/c1-7-5-8(2)17-12(16-7)19-13(20)18-9-3-4-10(14)11(15)6-9/h3-6H,1-2H3,(H2,16,17,18,19,20)
InChIKey
ITULGWHUHDIZBY-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.03882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.04610 168.1
[M+Na]+ 333.02804 178.2
[M-H]- 309.03154 172.0
[M+NH4]+ 328.07264 181.4
[M+K]+ 349.00198 171.7
[M+H-H2O]+ 293.03608 160.3
[M+HCOO]- 355.03702 181.7
[M+CH3COO]- 369.05267 207.7
[M+Na-2H]- 331.01349 172.1
[M]+ 310.03827 171.2
[M]- 310.03937 171.2
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.