CID 3004584

Nsc658501

Structural Information

Molecular Formula
C5H8N4O2S
SMILES
C(=C(C(=O)N)C(=O)N)NC(=S)N
InChI
InChI=1S/C5H8N4O2S/c6-3(10)2(4(7)11)1-9-5(8)12/h1H,(H2,6,10)(H2,7,11)(H3,8,9,12)
InChIKey
KWNZZDCTLPZOEL-UHFFFAOYSA-N
Compound name
2-[(carbamothioylamino)methylidene]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.0368 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04408 140.1
[M+Na]+ 211.02602 144.0
[M-H]- 187.02952 138.6
[M+NH4]+ 206.07062 157.1
[M+K]+ 226.99996 141.9
[M+H-H2O]+ 171.03406 133.1
[M+HCOO]- 233.03500 157.3
[M+CH3COO]- 247.05065 189.3
[M+Na-2H]- 209.01147 137.6
[M]+ 188.03625 133.7
[M]- 188.03735 133.7
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.