CID 3020236

84946-12-3

Structural Information

Molecular Formula
C12H15ClN2O3
SMILES
CCOC(=O)NC1=CC=CC=C1C(=O)NCCCl
InChI
InChI=1S/C12H15ClN2O3/c1-2-18-12(17)15-10-6-4-3-5-9(10)11(16)14-8-7-13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKey
WTMZMXJPRLKVED-UHFFFAOYSA-N
Compound name
ethyl N-[2-(2-chloroethylcarbamoyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.07712 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.084396 160.0
[M+Na]+ 293.066338 166.2
[M-H]- 269.069844 163.3
[M+NH4]+ 288.110943 176.6
[M+K]+ 309.040278 162.9
[M+H-H2O]+ 253.074380 153.8
[M+HCOO]- 315.075321 180.2
[M+CH3COO]- 329.090971 199.3
[M+Na-2H]- 291.051786 163.5
[M]+ 270.07657142 163.4
[M]- 270.07766858 163.4
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

No patent data available for this compound.