CID 498207

Nsc367595

Structural Information

Molecular Formula
C16H22N6O2S2
SMILES
CN(NNC1=CC=CC=C1SCCSC2=CC=CC=C2NNN(C)[O-])[O-]
InChI
InChI=1S/C16H22N6O2S2/c1-21(23)19-17-13-7-3-5-9-15(13)25-11-12-26-16-10-6-4-8-14(16)18-20-22(2)24/h3-10,17-20H,11-12H2,1-2H3/q-2
InChIKey
UUZJUPFQKPAIBE-UHFFFAOYSA-N
Compound name
1-[2-[methyl(oxido)amino]hydrazinyl]-2-[2-[2-[2-[methyl(oxido)amino]hydrazinyl]phenyl]sulfanylethylsulfanyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.12457 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13185 174.1
[M+Na]+ 417.11379 174.0
[M-H]- 393.11729 177.6
[M+NH4]+ 412.15839 182.5
[M+K]+ 433.08773 169.9
[M+H-H2O]+ 377.12183 167.3
[M+HCOO]- 439.12277 191.4
[M+CH3COO]- 453.13842 231.9
[M+Na-2H]- 415.09924 177.8
[M]+ 394.12402 171.8
[M]- 394.12512 171.8
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.