CID 3033269

Usaf mk-32

Structural Information

Molecular Formula
C10H16N2O4S2
SMILES
C(CC(=O)O)CNC(=S)C(=S)NCCCC(=O)O
InChI
InChI=1S/C10H16N2O4S2/c13-7(14)3-1-5-11-9(17)10(18)12-6-2-4-8(15)16/h1-6H2,(H,11,17)(H,12,18)(H,13,14)(H,15,16)
InChIKey
CCQRMRYGYNHBCP-UHFFFAOYSA-N
Compound name
4-[[2-(3-carboxypropylamino)-2-sulfanylideneethanethioyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.05515 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06243 165.1
[M+Na]+ 315.04437 166.7
[M-H]- 291.04787 160.7
[M+NH4]+ 310.08897 177.9
[M+K]+ 331.01831 161.8
[M+H-H2O]+ 275.05241 158.1
[M+HCOO]- 337.05335 172.1
[M+CH3COO]- 351.06900 198.6
[M+Na-2H]- 313.02982 161.1
[M]+ 292.05460 164.9
[M]- 292.05570 164.9
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.