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
3
Annotation Hits

83
References

4236
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

literature stripe

Patent stripe

patents stripe