CID 79669

5538-57-8

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)OC)O
InChI
InChI=1S/C19H17NO3/c1-12-5-3-4-6-17(12)20-19(22)16-10-14-9-15(23-2)8-7-13(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)
InChIKey
ISYIACJPZHHKAB-UHFFFAOYSA-N
Compound name
3-hydroxy-7-methoxy-N-(2-methylphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

307.12085 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 170.8
[M+Na]+ 330.11007 178.6
[M-H]- 306.11357 177.5
[M+NH4]+ 325.15467 185.8
[M+K]+ 346.08401 174.1
[M+H-H2O]+ 290.11811 162.6
[M+HCOO]- 352.11905 192.4
[M+CH3COO]- 366.13470 207.6
[M+Na-2H]- 328.09552 175.3
[M]+ 307.12030 172.2
[M]- 307.12140 172.2
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