CID 1984

Acetaminosalol

Structural Information

Molecular Formula
C15H13NO4
SMILES
CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17)
InChIKey
TWIIVLKQFJBFPW-UHFFFAOYSA-N
Compound name
(4-acetamidophenyl) 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

84
References

4354
Patents

271.08447 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 159.6
[M+Na]+ 294.07369 166.1
[M-H]- 270.07719 165.3
[M+NH4]+ 289.11829 174.6
[M+K]+ 310.04763 163.4
[M+H-H2O]+ 254.08173 151.9
[M+HCOO]- 316.08267 182.4
[M+CH3COO]- 330.09832 197.0
[M+Na-2H]- 292.05914 163.3
[M]+ 271.08392 160.1
[M]- 271.08502 160.1
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.