CID 6434099

30740-37-5

Structural Information

Molecular Formula
C12H13ClN2O3
SMILES
C1=CC(=CC=C1/C=C/C(=O)NCCOC(=O)N)Cl
InChI
InChI=1S/C12H13ClN2O3/c13-10-4-1-9(2-5-10)3-6-11(16)15-7-8-18-12(14)17/h1-6H,7-8H2,(H2,14,17)(H,15,16)/b6-3+
InChIKey
IRDWBXSXJFIGDV-ZZXKWVIFSA-N
Compound name
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06146 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06874 159.3
[M+Na]+ 291.05068 165.8
[M-H]- 267.05418 162.2
[M+NH4]+ 286.09528 175.7
[M+K]+ 307.02462 161.5
[M+H-H2O]+ 251.05872 153.3
[M+HCOO]- 313.05966 179.1
[M+CH3COO]- 327.07531 197.9
[M+Na-2H]- 289.03613 161.8
[M]+ 268.06091 161.0
[M]- 268.06201 161.0
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

No patent data available for this compound.