CID 11970570

69705-27-7

Structural Information

Molecular Formula
C18H17NO5
SMILES
CC1=C(C(=CC=C1)C(=O)OC2=CC=C(C=C2)NC(=O)C)OC(=O)C
InChI
InChI=1S/C18H17NO5/c1-11-5-4-6-16(17(11)23-13(3)21)18(22)24-15-9-7-14(8-10-15)19-12(2)20/h4-10H,1-3H3,(H,19,20)
InChIKey
REKMYSBXOKPKAW-UHFFFAOYSA-N
Compound name
(4-acetamidophenyl) 2-acetyloxy-3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1107 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.117976 174.2
[M+Na]+ 350.099918 180.6
[M-H]- 326.103424 181.3
[M+NH4]+ 345.144523 187.7
[M+K]+ 366.073858 178.9
[M+H-H2O]+ 310.107960 165.9
[M+HCOO]- 372.108901 196.9
[M+CH3COO]- 386.124551 211.3
[M+Na-2H]- 348.085366 175.0
[M]+ 327.11015142 178.1
[M]- 327.11124858 178.1
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.