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]+ 255.11618 157.5
[M+Na]+ 277.09812 164.0
[M-H]- 253.10162 161.9
[M+NH4]+ 272.14272 175.1
[M+K]+ 293.07206 161.4
[M+H-H2O]+ 237.10616 150.0
[M+HCOO]- 299.10710 178.0
[M+CH3COO]- 313.12275 201.5
[M+Na-2H]- 275.08357 158.6
[M]+ 254.10835 162.0
[M]- 254.10945 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.