CID 32469

(3-(2-mercaptoethylamino)propyl)oxamide hydrochloride

Structural Information

Molecular Formula
C7H15N3O2S
SMILES
C(CNCCS)CNC(=O)C(=O)N
InChI
InChI=1S/C7H15N3O2S/c8-6(11)7(12)10-3-1-2-9-4-5-13/h9,13H,1-5H2,(H2,8,11)(H,10,12)
InChIKey
PQIPALRWBBGKME-UHFFFAOYSA-N
Compound name
N'-[3-(2-sulfanylethylamino)propyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0885 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.095776 145.6
[M+Na]+ 228.077718 149.5
[M-H]- 204.081224 144.8
[M+NH4]+ 223.122323 163.4
[M+K]+ 244.051658 147.8
[M+H-H2O]+ 188.085760 138.7
[M+HCOO]- 250.086701 164.3
[M+CH3COO]- 264.102351 190.8
[M+Na-2H]- 226.063166 146.3
[M]+ 205.08795142 145.5
[M]- 205.08904858 145.5
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.