CID 17750960

292068-77-0

Structural Information

Molecular Formula
C14H15NO4S
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)O
InChI
InChI=1S/C14H15NO4S/c1-14(2,3)19-13(18)15-9-4-5-10-8(6-9)7-11(20-10)12(16)17/h4-7H,1-3H3,(H,15,18)(H,16,17)
InChIKey
GLLFQKVJBXZJON-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

293.07217 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07945 166.4
[M+Na]+ 316.06139 175.5
[M+NH4]+ 311.10599 172.9
[M+K]+ 332.03533 171.6
[M-H]- 292.06489 166.3
[M+Na-2H]- 314.04684 169.5
[M]+ 293.07162 167.9
[M]- 293.07272 167.9
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

patents stripe