CID 3021302

Brn 5963315

Structural Information

Molecular Formula
C15H13NO4
SMILES
CC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2OC(=O)N
InChI
InChI=1S/C15H13NO4/c1-10-5-4-6-11(9-10)19-14(17)12-7-2-3-8-13(12)20-15(16)18/h2-9H,1H3,(H2,16,18)
InChIKey
DAOKQLIWUHRVQX-UHFFFAOYSA-N
Compound name
(3-methylphenyl) 2-carbamoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.091746 160.0
[M+Na]+ 294.073688 167.0
[M-H]- 270.077194 166.6
[M+NH4]+ 289.118293 175.4
[M+K]+ 310.047628 164.8
[M+H-H2O]+ 254.081730 152.1
[M+HCOO]- 316.082671 183.7
[M+CH3COO]- 330.098321 198.8
[M+Na-2H]- 292.059136 163.1
[M]+ 271.08392142 161.4
[M]- 271.08501858 161.4
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.