CID 9588073

(4-(2-thienyl-hydroxyiminomethyl)-1-naphthyloxy)acetic acid

Structural Information

Molecular Formula
C17H13NO4S
SMILES
C1=CC=C2C(=C1)C(=CC=C2OCC(=O)O)/C(=N/O)/C3=CC=CS3
InChI
InChI=1S/C17H13NO4S/c19-16(20)10-22-14-8-7-13(11-4-1-2-5-12(11)14)17(18-21)15-6-3-9-23-15/h1-9,21H,10H2,(H,19,20)/b18-17-
InChIKey
RCRJDIZMTNAQBE-ZCXUNETKSA-N
Compound name
2-[4-[(Z)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]naphthalen-1-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.05652 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06380 172.2
[M+Na]+ 350.04574 184.1
[M+NH4]+ 345.09034 179.7
[M+K]+ 366.01968 177.8
[M-H]- 326.04924 175.7
[M+Na-2H]- 348.03119 179.0
[M]+ 327.05597 175.2
[M]- 327.05707 175.2
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.