CID 3040803

Benzo(b)thiophene-2-carboximidamide, n-(2-(dimethylamino)ethyl)-3-hydroxy-

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]+ 264.116496 158.7
[M+Na]+ 286.098438 166.3
[M-H]- 262.101944 164.6
[M+NH4]+ 281.143043 178.6
[M+K]+ 302.072378 163.1
[M+H-H2O]+ 246.106480 151.9
[M+HCOO]- 308.107421 180.8
[M+CH3COO]- 322.123071 205.5
[M+Na-2H]- 284.083886 161.0
[M]+ 263.10867142 162.3
[M]- 263.10976858 162.3
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.