CID 3040801

Benzo(b)thiophene-2-carboximidic acid, 3-hydroxy-, 2-ethoxyethyl ester

Structural Information

Molecular Formula
C13H15NO3S
SMILES
CCOCCOC(=N)C1=C(C2=CC=CC=C2S1)O
InChI
InChI=1S/C13H15NO3S/c1-2-16-7-8-17-13(14)12-11(15)9-5-3-4-6-10(9)18-12/h3-6,14-15H,2,7-8H2,1H3
InChIKey
CKSQGBAYAULOAG-UHFFFAOYSA-N
Compound name
2-ethoxyethyl 3-hydroxy-1-benzothiophene-2-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.07727 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.084546 157.8
[M+Na]+ 288.066488 166.3
[M-H]- 264.069994 161.6
[M+NH4]+ 283.111093 177.2
[M+K]+ 304.040428 162.4
[M+H-H2O]+ 248.074530 152.1
[M+HCOO]- 310.075471 177.2
[M+CH3COO]- 324.091121 194.3
[M+Na-2H]- 286.051936 160.4
[M]+ 265.07672142 163.6
[M]- 265.07781858 163.6
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.