CID 3040801

2-ethoxyethyl 3-hydroxybenzo(b)thiophene-2-carboximidate

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]+ 266.08455 157.8
[M+Na]+ 288.06649 166.3
[M-H]- 264.06999 161.6
[M+NH4]+ 283.11109 177.2
[M+K]+ 304.04043 162.4
[M+H-H2O]+ 248.07453 152.1
[M+HCOO]- 310.07547 177.2
[M+CH3COO]- 324.09112 194.3
[M+Na-2H]- 286.05194 160.4
[M]+ 265.07672 163.6
[M]- 265.07782 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.