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]+ 297.030436 162.9
[M+Na]+ 319.012378 172.6
[M-H]- 295.015884 166.7
[M+NH4]+ 314.056983 176.5
[M+K]+ 334.986318 166.2
[M+H-H2O]+ 279.020420 155.1
[M+HCOO]- 341.021361 177.0
[M+CH3COO]- 355.037011 203.6
[M+Na-2H]- 316.997826 168.3
[M]+ 296.02261142 165.4
[M]- 296.02370858 165.4
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

patents stripe