CID 2757231

688763-37-3

Structural Information

Molecular Formula
C16H17NO4S
SMILES
CC(C)(C)OC(=O)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H17NO4S/c1-16(2,3)21-15(20)17-11-9-12(22-13(11)14(18)19)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,20)(H,18,19)
InChIKey
HVQKCAFYNPVEAU-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.08783 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09511 174.6
[M+Na]+ 342.07705 183.4
[M+NH4]+ 337.12165 180.6
[M+K]+ 358.05099 179.4
[M-H]- 318.08055 176.0
[M+Na-2H]- 340.06250 179.1
[M]+ 319.08728 176.5
[M]- 319.08838 176.5
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.