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 162.9
[M+Na]+ 319.01238 172.6
[M-H]- 295.01588 166.7
[M+NH4]+ 314.05698 176.5
[M+K]+ 334.98632 166.2
[M+H-H2O]+ 279.02042 155.1
[M+HCOO]- 341.02136 177.0
[M+CH3COO]- 355.03701 203.6
[M+Na-2H]- 316.99783 168.3
[M]+ 296.02261 165.4
[M]- 296.02371 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