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]+ 328.11798 174.8
[M+Na]+ 350.09992 180.3
[M-H]- 326.10342 181.5
[M+NH4]+ 345.14452 187.9
[M+K]+ 366.07386 178.5
[M+H-H2O]+ 310.10796 166.2
[M+HCOO]- 372.10890 197.5
[M+CH3COO]- 386.12455 210.0
[M+Na-2H]- 348.08537 176.3
[M]+ 327.11015 178.3
[M]- 327.11125 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.