CID 3040804

N-(3-ethoxypropyl)-3-hydroxybenzo(b)thiophene-2-carboximidamide

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
CCOCCCN=C(C1=C(C2=CC=CC=C2S1)O)N
InChI
InChI=1S/C14H18N2O2S/c1-2-18-9-5-8-16-14(15)13-12(17)10-6-3-4-7-11(10)19-13/h3-4,6-7,17H,2,5,8-9H2,1H3,(H2,15,16)
InChIKey
UFMRWVRKAJNRIB-UHFFFAOYSA-N
Compound name
N'-(3-ethoxypropyl)-3-hydroxy-1-benzothiophene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1089 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 162.3
[M+Na]+ 301.09812 170.1
[M-H]- 277.10162 166.7
[M+NH4]+ 296.14272 181.3
[M+K]+ 317.07206 165.8
[M+H-H2O]+ 261.10616 155.8
[M+HCOO]- 323.10710 183.0
[M+CH3COO]- 337.12275 202.1
[M+Na-2H]- 299.08357 164.4
[M]+ 278.10835 167.1
[M]- 278.10945 167.1
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.