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]+ 300.086656 166.0
[M+Na]+ 322.068598 171.4
[M-H]- 298.072104 170.2
[M+NH4]+ 317.113203 178.7
[M+K]+ 338.042538 168.4
[M+H-H2O]+ 282.076640 158.3
[M+HCOO]- 344.077581 186.3
[M+CH3COO]- 358.093231 200.1
[M+Na-2H]- 320.054046 167.5
[M]+ 299.07883142 165.1
[M]- 299.07992858 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.