CID 77272

3689-20-1

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC1=C(C=CC(=C1)OC)NC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C19H17NO3/c1-12-9-15(23-2)7-8-17(12)20-19(22)16-10-13-5-3-4-6-14(13)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)
InChIKey
BPLTYDPIHLNUAR-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(4-methoxy-2-methylphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

29
Patents

307.12085 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.128126 170.8
[M+Na]+ 330.110068 178.6
[M-H]- 306.113574 177.5
[M+NH4]+ 325.154673 185.8
[M+K]+ 346.084008 174.1
[M+H-H2O]+ 290.118110 162.6
[M+HCOO]- 352.119051 192.4
[M+CH3COO]- 366.134701 207.6
[M+Na-2H]- 328.095516 175.3
[M]+ 307.12030142 172.2
[M]- 307.12139858 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

literature stripe

Patent stripe

patents stripe