CID 9588076

2-((4-((hydroxyimino)-2-thienylmethyl)-1-naphthalenyl)oxy)-2-methylpropanoic acid

Structural Information

Molecular Formula
C19H17NO4S
SMILES
CC(C)(C(=O)O)OC1=CC=C(C2=CC=CC=C21)/C(=N/O)/C3=CC=CS3
InChI
InChI=1S/C19H17NO4S/c1-19(2,18(21)22)24-15-10-9-14(12-6-3-4-7-13(12)15)17(20-23)16-8-5-11-25-16/h3-11,23H,1-2H3,(H,21,22)/b20-17-
InChIKey
NQMMZYMYFDAMKM-JZJYNLBNSA-N
Compound name
2-[4-[(Z)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]naphthalen-1-yl]oxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.08783 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09511 181.2
[M+Na]+ 378.07705 192.3
[M+NH4]+ 373.12165 188.1
[M+K]+ 394.05099 186.9
[M-H]- 354.08055 184.0
[M+Na-2H]- 376.06250 187.6
[M]+ 355.08728 184.0
[M]- 355.08838 184.0
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.