CID 307049

1-benzyl-3-(3,4-dichlorophenyl)-1-methylurea

Structural Information

Molecular Formula
C15H14Cl2N2O
SMILES
CN(CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H14Cl2N2O/c1-19(10-11-5-3-2-4-6-11)15(20)18-12-7-8-13(16)14(17)9-12/h2-9H,10H2,1H3,(H,18,20)
InChIKey
BPUNHRDHFGRLOS-UHFFFAOYSA-N
Compound name
1-benzyl-3-(3,4-dichlorophenyl)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 168.9
[M+Na]+ 331.037518 176.7
[M-H]- 307.041024 176.2
[M+NH4]+ 326.082123 185.2
[M+K]+ 347.011458 171.2
[M+H-H2O]+ 291.045560 162.4
[M+HCOO]- 353.046501 185.3
[M+CH3COO]- 367.062151 209.2
[M+Na-2H]- 329.022966 172.4
[M]+ 308.04775142 172.7
[M]- 308.04884858 172.7
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.