CID 8594

Naptalam

Structural Information

Molecular Formula

C₁₈H₁₃NO₃

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)

InChIKey

JXTHEWSKYLZVJC-UHFFFAOYSA-N

Compound name

2-(naphthalen-1-ylcarbamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 224
References: 17897
Patents: 291.08954 Da
Monoisotopic Mass: 3.5
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]+	292.09682	164.8
[M+Na]+	314.07876	171.2
[M-H]-	290.08226	171.0
[M+NH4]+	309.12336	179.6
[M+K]+	330.05270	166.7
[M+H-H2O]+	274.08680	156.7
[M+HCOO]-	336.08774	186.0
[M+CH3COO]-	350.10339	202.3
[M+Na-2H]-	312.06421	170.1
[M]+	291.08899	163.7
[M]-	291.09009	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe