CID 38228

39180-38-6

Structural Information

Molecular Formula
C16H15NO3
SMILES
CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C2=CC=CC=C2
InChI
InChI=1S/C16H15NO3/c1-11(18)17-15-10-13(16(19)20-2)8-9-14(15)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18)
InChIKey
REJSESURCIXBRC-UHFFFAOYSA-N
Compound name
methyl 3-acetamido-4-phenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 160.9
[M+Na]+ 292.09442 167.6
[M-H]- 268.09792 167.9
[M+NH4]+ 287.13902 176.8
[M+K]+ 308.06836 164.9
[M+H-H2O]+ 252.10246 153.1
[M+HCOO]- 314.10340 184.8
[M+CH3COO]- 328.11905 200.2
[M+Na-2H]- 290.07987 164.5
[M]+ 269.10465 162.3
[M]- 269.10575 162.3
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.