CID 79878

5809-23-4

Structural Information

Molecular Formula

C₁₈H₁₉NO₄

SMILES

CCN(CC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)

InChIKey

FQNKTJPBXAZUGC-UHFFFAOYSA-N

Compound name

2-[4-(diethylamino)-2-hydroxybenzoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 3167
Patents: 313.1314 Da
Monoisotopic Mass: 3.8
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]+	314.138676	172.4
[M+Na]+	336.120618	178.0
[M-H]-	312.124124	177.9
[M+NH4]+	331.165223	185.7
[M+K]+	352.094558	175.4
[M+H-H2O]+	296.128660	164.5
[M+HCOO]-	358.129601	193.1
[M+CH3COO]-	372.145251	209.5
[M+Na-2H]-	334.106066	172.6
[M]+	313.13085142	174.0
[M]-	313.13194858	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe