CID 578539

Benzocaine acetylsalicylamide

Structural Information

Molecular Formula
C18H17NO5
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC(=O)C
InChI
InChI=1S/C18H17NO5/c1-3-23-18(22)13-8-10-14(11-9-13)19-17(21)15-6-4-5-7-16(15)24-12(2)20/h4-11H,3H2,1-2H3,(H,19,21)
InChIKey
RORGJEPJJCAMHK-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-acetyloxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1107 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.117976 174.8
[M+Na]+ 350.099918 180.3
[M-H]- 326.103424 181.5
[M+NH4]+ 345.144523 187.9
[M+K]+ 366.073858 178.5
[M+H-H2O]+ 310.107960 166.2
[M+HCOO]- 372.108901 197.5
[M+CH3COO]- 386.124551 210.0
[M+Na-2H]- 348.085366 176.3
[M]+ 327.11015142 178.3
[M]- 327.11124858 178.3
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.