CID 38424

N-(3,4-dimethoxyphenethyl)-2-mercaptoacetamidine hydrochloride

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
COC1=C(C=C(C=C1)CCN=C(CS)N)OC
InChI
InChI=1S/C12H18N2O2S/c1-15-10-4-3-9(7-11(10)16-2)5-6-14-12(13)8-17/h3-4,7,17H,5-6,8H2,1-2H3,(H2,13,14)
InChIKey
CDLAHURMGLFOPE-UHFFFAOYSA-N
Compound name
N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1089 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.116176 157.5
[M+Na]+ 277.098118 164.0
[M-H]- 253.101624 161.9
[M+NH4]+ 272.142723 175.1
[M+K]+ 293.072058 161.4
[M+H-H2O]+ 237.106160 150.0
[M+HCOO]- 299.107101 178.0
[M+CH3COO]- 313.122751 201.5
[M+Na-2H]- 275.083566 158.6
[M]+ 254.10835142 162.0
[M]- 254.10944858 162.0
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.