CID 170542

41611-98-7

Structural Information

Molecular Formula

C₁₈H₁₅NO₃

SMILES

COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H15NO3/c1-22-15-8-7-12-11-17(20)16(10-13(12)9-15)18(21)19-14-5-3-2-4-6-14/h2-11,20H,1H3,(H,19,21)

InChIKey

NMOUGHCHKXXTRY-UHFFFAOYSA-N

Compound name

3-hydroxy-7-methoxy-N-phenylnaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 66
Patents: 293.1052 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.112476	165.9
[M+Na]+	316.094418	173.3
[M-H]-	292.097924	172.5
[M+NH4]+	311.139023	181.2
[M+K]+	332.068358	168.9
[M+H-H2O]+	276.102460	157.8
[M+HCOO]-	338.103401	187.9
[M+CH3COO]-	352.119051	203.4
[M+Na-2H]-	314.079866	171.7
[M]+	293.10465142	166.6
[M]-	293.10574858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe