CID 9588076

Propanoic acid, 2-((4-((hydroxyimino)-2-thienylmethyl)-1-naphthalenyl)oxy)-2-methyl-

Structural Information

Molecular Formula

C₁₉H₁₇NO₄S

SMILES

CC(C)(C(=O)O)OC1=CC=C(C2=CC=CC=C21)/C(=N/O)/C3=CC=CS3

InChI

InChI=1S/C19H17NO4S/c1-19(2,18(21)22)24-15-10-9-14(12-6-3-4-7-13(12)15)17(20-23)16-8-5-11-25-16/h3-11,23H,1-2H3,(H,21,22)/b20-17-

InChIKey

NQMMZYMYFDAMKM-JZJYNLBNSA-N

Compound name

2-[4-[(Z)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]naphthalen-1-yl]oxy-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.08783 Da
Monoisotopic Mass: 4.9
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]+	356.095106	182.8
[M+Na]+	378.077048	189.9
[M-H]-	354.080554	189.6
[M+NH4]+	373.121653	197.8
[M+K]+	394.050988	185.7
[M+H-H2O]+	338.085090	176.2
[M+HCOO]-	400.086031	199.5
[M+CH3COO]-	414.101681	210.8
[M+Na-2H]-	376.062496	185.3
[M]+	355.08728142	187.9
[M]-	355.08837858	187.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.