CID 9588074

Acetic acid, ((4-((hydroxyimino)(5-methyl-2-thienyl)methyl)-1-naphthalenyl)oxy)-, hydrate (2:1)

Structural Information

Molecular Formula
C18H15NO4S
SMILES
CC1=CC=C(S1)/C(=N\O)/C2=CC=C(C3=CC=CC=C32)OCC(=O)O
InChI
InChI=1S/C18H15NO4S/c1-11-6-9-16(24-11)18(19-22)14-7-8-15(23-10-17(20)21)13-5-3-2-4-12(13)14/h2-9,22H,10H2,1H3,(H,20,21)/b19-18-
InChIKey
MPEZKKXSRSNNDH-HNENSFHCSA-N
Compound name
2-[4-[(Z)-N-hydroxy-C-(5-methylthiophen-2-yl)carbonimidoyl]naphthalen-1-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.07217 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.079446 177.5
[M+Na]+ 364.061388 185.7
[M-H]- 340.064894 184.6
[M+NH4]+ 359.105993 193.3
[M+K]+ 380.035328 181.0
[M+H-H2O]+ 324.069430 170.7
[M+HCOO]- 386.070371 196.1
[M+CH3COO]- 400.086021 208.7
[M+Na-2H]- 362.046836 178.7
[M]+ 341.07162142 183.1
[M]- 341.07271858 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.