CID 3040802

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

Structural Information

Molecular Formula
C15H21N3OS
SMILES
CCN(CC)CCN=C(C1=C(C2=CC=CC=C2S1)O)N
InChI
InChI=1S/C15H21N3OS/c1-3-18(4-2)10-9-17-15(16)14-13(19)11-7-5-6-8-12(11)20-14/h5-8,19H,3-4,9-10H2,1-2H3,(H2,16,17)
InChIKey
GZCFPAXUHNSCPH-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)ethyl]-3-hydroxy-1-benzothiophene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14053 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14781 167.6
[M+Na]+ 314.12975 174.3
[M-H]- 290.13325 173.2
[M+NH4]+ 309.17435 186.4
[M+K]+ 330.10369 170.7
[M+H-H2O]+ 274.13779 160.4
[M+HCOO]- 336.13873 189.1
[M+CH3COO]- 350.15438 211.4
[M+Na-2H]- 312.11520 169.0
[M]+ 291.13998 171.9
[M]- 291.14108 171.9
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.