CID 38426

Acetamidine, 2-mercapto-n-(3-morpholinopropyl)-, dihydrochloride

Structural Information

Molecular Formula
C9H19N3OS
SMILES
C1COCCN1CCCN=C(CS)N
InChI
InChI=1S/C9H19N3OS/c10-9(8-14)11-2-1-3-12-4-6-13-7-5-12/h14H,1-8H2,(H2,10,11)
InChIKey
QSMUCTFSXCXAPT-UHFFFAOYSA-N
Compound name
N'-(3-morpholin-4-ylpropyl)-2-sulfanylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.12488 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.132156 150.0
[M+Na]+ 240.114098 153.3
[M-H]- 216.117604 152.3
[M+NH4]+ 235.158703 165.8
[M+K]+ 256.088038 152.5
[M+H-H2O]+ 200.122140 142.1
[M+HCOO]- 262.123081 165.0
[M+CH3COO]- 276.138731 191.8
[M+Na-2H]- 238.099546 151.9
[M]+ 217.12433142 148.1
[M]- 217.12542858 148.1
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.