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 167.3
[M+Na]+ 322.06860 177.8
[M+NH4]+ 317.11320 172.2
[M+K]+ 338.04254 174.0
[M-H]- 298.07210 168.7
[M+Na-2H]- 320.05405 172.8
[M]+ 299.07883 168.7
[M]- 299.07993 168.7
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.