CID 3040803

N-(2-(dimethylamino)ethyl)-3-hydroxybenzo(b)thiophene-2-carboximidamide

Structural Information

Molecular Formula
C13H17N3OS
SMILES
CN(C)CCN=C(C1=C(C2=CC=CC=C2S1)O)N
InChI
InChI=1S/C13H17N3OS/c1-16(2)8-7-15-13(14)12-11(17)9-5-3-4-6-10(9)18-12/h3-6,17H,7-8H2,1-2H3,(H2,14,15)
InChIKey
FODFIDLAYLFXKD-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]-3-hydroxy-1-benzothiophene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.10922 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11650 159.2
[M+Na]+ 286.09844 168.4
[M+NH4]+ 281.14304 167.5
[M+K]+ 302.07238 162.5
[M-H]- 262.10194 162.9
[M+Na-2H]- 284.08389 164.2
[M]+ 263.10867 161.7
[M]- 263.10977 161.7
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.