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]+ 342.07945 176.9
[M+Na]+ 364.06139 188.9
[M+NH4]+ 359.10599 184.2
[M+K]+ 380.03533 182.6
[M-H]- 340.06489 180.4
[M+Na-2H]- 362.04684 183.2
[M]+ 341.07162 179.9
[M]- 341.07272 179.9
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.