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 177.5
[M+Na]+ 364.06139 185.7
[M-H]- 340.06489 184.6
[M+NH4]+ 359.10599 193.3
[M+K]+ 380.03533 181.0
[M+H-H2O]+ 324.06943 170.7
[M+HCOO]- 386.07037 196.1
[M+CH3COO]- 400.08602 208.7
[M+Na-2H]- 362.04684 178.7
[M]+ 341.07162 183.1
[M]- 341.07272 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.