CID 904034

Methyl 2-[(phenoxycarbonyl)amino]benzoate

Structural Information

Molecular Formula
C15H13NO4
SMILES
COC(=O)C1=CC=CC=C1NC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C15H13NO4/c1-19-14(17)12-9-5-6-10-13(12)16-15(18)20-11-7-3-2-4-8-11/h2-10H,1H3,(H,16,18)
InChIKey
UWPAYCMISNVEGF-UHFFFAOYSA-N
Compound name
methyl 2-(phenoxycarbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

271.08447 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.091746 159.8
[M+Na]+ 294.073688 165.9
[M-H]- 270.077194 166.6
[M+NH4]+ 289.118293 175.3
[M+K]+ 310.047628 164.0
[M+H-H2O]+ 254.081730 151.7
[M+HCOO]- 316.082671 184.2
[M+CH3COO]- 330.098321 197.5
[M+Na-2H]- 292.059136 164.7
[M]+ 271.08392142 161.7
[M]- 271.08501858 161.7
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