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 173.0
[M+Na]+ 350.04574 180.8
[M-H]- 326.04924 180.0
[M+NH4]+ 345.09034 189.0
[M+K]+ 366.01968 176.3
[M+H-H2O]+ 310.05378 166.1
[M+HCOO]- 372.05472 192.0
[M+CH3COO]- 386.07037 204.5
[M+Na-2H]- 348.03119 175.3
[M]+ 327.05597 177.8
[M]- 327.05707 177.8
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.