CID 3000550

Nsc23449

Structural Information

Molecular Formula
C7H7N3OS2
SMILES
C1=CN=CC=C1C(=O)NNC(=S)S
InChI
InChI=1S/C7H7N3OS2/c11-6(9-10-7(12)13)5-1-3-8-4-2-5/h1-4H,(H,9,11)(H2,10,12,13)
InChIKey
MSNWBTUVQOZGGR-UHFFFAOYSA-N
Compound name
(pyridine-4-carbonylamino)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

213.00305 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.01033 141.3
[M+Na]+ 235.99227 148.1
[M-H]- 211.99577 143.3
[M+NH4]+ 231.03687 158.4
[M+K]+ 251.96621 143.5
[M+H-H2O]+ 196.00031 134.3
[M+HCOO]- 258.00125 154.3
[M+CH3COO]- 272.01690 186.3
[M+Na-2H]- 233.97772 143.9
[M]+ 213.00250 140.7
[M]- 213.00360 140.7
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

patents stripe