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
3
Annotation Hits

0
References

18
Patents

320.1161 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.123376 173.0
[M+Na]+ 343.105318 179.1
[M-H]- 319.108824 179.4
[M+NH4]+ 338.149923 186.6
[M+K]+ 359.079258 174.6
[M+H-H2O]+ 303.113360 164.6
[M+HCOO]- 365.114301 194.8
[M+CH3COO]- 379.129951 211.2
[M+Na-2H]- 341.090766 177.7
[M]+ 320.11555142 172.0
[M]- 320.11664858 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