CID 5463597

Mls003106758

Structural Information

Molecular Formula
C16H14N2O4
SMILES
C1=CC=C(C=C1)/C=C/COC(=O)NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C16H14N2O4/c19-16(17-14-10-4-5-11-15(14)18(20)21)22-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2,(H,17,19)/b9-6+
InChIKey
OZCYFXADSJBCHE-RMKNXTFCSA-N
Compound name
[(E)-3-phenylprop-2-enyl] N-(2-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09537 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.102646 167.6
[M+Na]+ 321.084588 171.8
[M-H]- 297.088094 173.7
[M+NH4]+ 316.129193 180.8
[M+K]+ 337.058528 164.3
[M+H-H2O]+ 281.092630 163.4
[M+HCOO]- 343.093571 193.0
[M+CH3COO]- 357.109221 196.4
[M+Na-2H]- 319.070036 174.0
[M]+ 298.09482142 166.2
[M]- 298.09591858 166.2
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.