CID 6433705

17788-15-7

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C/C=C/C(=O)NC1=CC(=CC=C1)OC(=O)NC
InChI
InChI=1S/C12H14N2O3/c1-3-5-11(15)14-9-6-4-7-10(8-9)17-12(16)13-2/h3-8H,1-2H3,(H,13,16)(H,14,15)/b5-3+
InChIKey
XDUPUIUISDIOAT-HWKANZROSA-N
Compound name
[3-[[(E)-but-2-enoyl]amino]phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 152.7
[M+Na]+ 257.08967 158.5
[M-H]- 233.09317 156.3
[M+NH4]+ 252.13427 169.9
[M+K]+ 273.06361 156.6
[M+H-H2O]+ 217.09771 145.7
[M+HCOO]- 279.09865 177.6
[M+CH3COO]- 293.11430 194.1
[M+Na-2H]- 255.07512 156.7
[M]+ 234.09990 153.1
[M]- 234.10100 153.1
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