CID 588057

1,3-bis-(5-chloro-2-methylphenyl)urea

Structural Information

Molecular Formula
C15H14Cl2N2O
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)NC2=C(C=CC(=C2)Cl)C
InChI
InChI=1S/C15H14Cl2N2O/c1-9-3-5-11(16)7-13(9)18-15(20)19-14-8-12(17)6-4-10(14)2/h3-8H,1-2H3,(H2,18,19,20)
InChIKey
OKMNQSHZGJLOOK-UHFFFAOYSA-N
Compound name
1,3-bis(5-chloro-2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.0483 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.055576 169.3
[M+Na]+ 331.037518 178.8
[M-H]- 307.041024 175.8
[M+NH4]+ 326.082123 185.5
[M+K]+ 347.011458 172.0
[M+H-H2O]+ 291.045560 163.5
[M+HCOO]- 353.046501 185.1
[M+CH3COO]- 367.062151 208.3
[M+Na-2H]- 329.022966 171.9
[M]+ 308.04775142 172.5
[M]- 308.04884858 172.5
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