CID 116134

N-(4-carboxyphenyl)acetylsalicylamide

Structural Information

Molecular Formula
C16H13NO5
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)CC2=CC=C(C=C2)C(=O)O)O
InChI
InChI=1S/C16H13NO5/c18-13-4-2-1-3-12(13)15(20)17-14(19)9-10-5-7-11(8-6-10)16(21)22/h1-8,18H,9H2,(H,21,22)(H,17,19,20)
InChIKey
ITODZODERAETNG-UHFFFAOYSA-N
Compound name
4-[2-[(2-hydroxybenzoyl)amino]-2-oxoethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08666 166.0
[M+Na]+ 322.06860 171.4
[M-H]- 298.07210 170.2
[M+NH4]+ 317.11320 178.7
[M+K]+ 338.04254 168.4
[M+H-H2O]+ 282.07664 158.3
[M+HCOO]- 344.07758 186.3
[M+CH3COO]- 358.09323 200.1
[M+Na-2H]- 320.05405 167.5
[M]+ 299.07883 165.1
[M]- 299.07993 165.1
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.