CID 2332137

N-(3,4-dichlorophenyl)-n'-(4-methyl-2-pyrimidinyl)urea

Structural Information

Molecular Formula
C12H10Cl2N4O
SMILES
CC1=NC(=NC=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H10Cl2N4O/c1-7-4-5-15-11(16-7)18-12(19)17-8-2-3-9(13)10(14)6-8/h2-6H,1H3,(H2,15,16,17,18,19)
InChIKey
QRHIJBSNTPWMNZ-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(4-methylpyrimidin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.02316 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03044 163.2
[M+Na]+ 319.01238 178.2
[M+NH4]+ 314.05698 170.8
[M+K]+ 334.98632 170.3
[M-H]- 295.01588 167.1
[M+Na-2H]- 316.99783 172.0
[M]+ 296.02261 166.9
[M]- 296.02371 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.