CID 170529

N-(4-acetylaminophenyl)-3-hydroxynaphthalene-2-carboxamide

Structural Information

Molecular Formula
C19H16N2O3
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C19H16N2O3/c1-12(22)20-15-6-8-16(9-7-15)21-19(24)17-10-13-4-2-3-5-14(13)11-18(17)23/h2-11,23H,1H3,(H,20,22)(H,21,24)
InChIKey
MSRUOXBBGPWHEG-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

320.1161 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12338 173.0
[M+Na]+ 343.10532 179.1
[M-H]- 319.10882 179.4
[M+NH4]+ 338.14992 186.6
[M+K]+ 359.07926 174.6
[M+H-H2O]+ 303.11336 164.6
[M+HCOO]- 365.11430 194.8
[M+CH3COO]- 379.12995 211.2
[M+Na-2H]- 341.09077 177.7
[M]+ 320.11555 172.0
[M]- 320.11665 172.0
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

patents stripe