CID 4120747

1,1-diallyl-3-(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C13H14Cl2N2O
SMILES
C=CCN(CC=C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2O/c1-3-7-17(8-4-2)13(18)16-10-5-6-11(14)12(15)9-10/h3-6,9H,1-2,7-8H2,(H,16,18)
InChIKey
VTKYMMZQVMZTOU-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-1,1-bis(prop-2-enyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.0483 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05558 164.3
[M+Na]+ 307.03752 172.2
[M-H]- 283.04102 168.5
[M+NH4]+ 302.08212 181.8
[M+K]+ 323.01146 166.2
[M+H-H2O]+ 267.04556 159.2
[M+HCOO]- 329.04650 180.3
[M+CH3COO]- 343.06215 205.9
[M+Na-2H]- 305.02297 166.1
[M]+ 284.04775 168.0
[M]- 284.04885 168.0
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