CID 506594

1-[[1,2-bis(hydrazinecarbonyl)cyclohexa-2,4-dien-1-yl]disulfanyl]cyclohexa-2,4-diene-1,2-dicarbohydrazide

Structural Information

Molecular Formula
C16H22N8O4S2
SMILES
C1C=CC=C(C1(C(=O)NN)SSC2(CC=CC=C2C(=O)NN)C(=O)NN)C(=O)NN
InChI
InChI=1S/C16H22N8O4S2/c17-21-11(25)9-5-1-3-7-15(9,13(27)23-19)29-30-16(14(28)24-20)8-4-2-6-10(16)12(26)22-18/h1-6H,7-8,17-20H2,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKey
KZXGXCCNPDGISG-UHFFFAOYSA-N
Compound name
1-[[1,2-bis(hydrazinecarbonyl)cyclohexa-2,4-dien-1-yl]disulfanyl]cyclohexa-2,4-diene-1,2-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.12054 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.12782 184.8
[M+Na]+ 477.10976 183.8
[M-H]- 453.11326 185.6
[M+NH4]+ 472.15436 192.6
[M+K]+ 493.08370 180.4
[M+H-H2O]+ 437.11780 177.2
[M+HCOO]- 499.11874 196.2
[M+CH3COO]- 513.13439 245.5
[M+Na-2H]- 475.09521 189.5
[M]+ 454.11999 177.4
[M]- 454.12109 177.4
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.