CID 17480850

Methyl 3-[(phenoxycarbonyl)amino]benzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.08447 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 159.8
[M+Na]+ 294.07369 165.9
[M-H]- 270.07719 166.6
[M+NH4]+ 289.11829 175.3
[M+K]+ 310.04763 164.0
[M+H-H2O]+ 254.08173 151.7
[M+HCOO]- 316.08267 184.2
[M+CH3COO]- 330.09832 197.5
[M+Na-2H]- 292.05914 164.7
[M]+ 271.08392 161.7
[M]- 271.08502 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