CID 389967

Nsc686669

Structural Information

Molecular Formula
C6H8N10O2S2
SMILES
C1(=NNN=C1SSC2=NNN=C2C(=O)NN)C(=O)NN
InChI
InChI=1S/C6H8N10O2S2/c7-9-3(17)1-5(13-15-11-1)19-20-6-2(4(18)10-8)12-16-14-6/h7-8H2,(H,9,17)(H,10,18)(H,11,13,15)(H,12,14,16)
InChIKey
MWQHRZUAGUQBFP-UHFFFAOYSA-N
Compound name
5-[[5-(hydrazinecarbonyl)-2H-triazol-4-yl]disulfanyl]-2H-triazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0273 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.03458 155.8
[M+Na]+ 339.01652 165.0
[M-H]- 315.02002 154.4
[M+NH4]+ 334.06112 164.2
[M+K]+ 354.99046 158.9
[M+H-H2O]+ 299.02456 148.3
[M+HCOO]- 361.02550 166.7
[M+CH3COO]- 375.04115 164.5
[M+Na-2H]- 337.00197 157.1
[M]+ 316.02675 154.1
[M]- 316.02785 154.1
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.