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 161.8
[M+Na]+ 292.09442 174.8
[M+NH4]+ 287.13902 169.1
[M+K]+ 308.06836 168.4
[M-H]- 268.09792 165.8
[M+Na-2H]- 290.07987 170.0
[M]+ 269.10465 164.7
[M]- 269.10575 164.7
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

No patent data available for this compound.