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]+ 299.10265 167.6
[M+Na]+ 321.08459 171.8
[M-H]- 297.08809 173.7
[M+NH4]+ 316.12919 180.8
[M+K]+ 337.05853 164.3
[M+H-H2O]+ 281.09263 163.4
[M+HCOO]- 343.09357 193.0
[M+CH3COO]- 357.10922 196.4
[M+Na-2H]- 319.07004 174.0
[M]+ 298.09482 166.2
[M]- 298.09592 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.