CID 397255

N,n'-bis(2,2'-dithiosalicyl)hydrazide

Structural Information

Molecular Formula
C28H20N4O4S4
SMILES
C1=CC=C2C(=C1)C(=O)NNC(=O)C3=CC=CC=C3SSC4=CC=CC=C4C(=O)NNC(=O)C5=CC=CC=C5SS2
InChI
InChI=1S/C28H20N4O4S4/c33-25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)27(35)31-32-28(36)20-12-4-8-16-24(20)40-39-23-15-7-3-11-19(23)26(34)30-29-25/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChIKey
ZFFCQXUXSGUXST-UHFFFAOYSA-N
Compound name
2,3,20,21-tetrathia-11,12,29,30-tetrazapentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),4,6,8,14,16,18,22,24,26,32,34-dodecaene-10,13,28,31-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

604.03674 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.04402 207.8
[M+Na]+ 627.02596 214.3
[M-H]- 603.02946 201.0
[M+NH4]+ 622.07056 204.7
[M+K]+ 642.99990 203.3
[M+H-H2O]+ 587.03400 208.5
[M+HCOO]- 649.03494 194.4
[M+CH3COO]- 663.05059 208.1
[M+Na-2H]- 625.01141 215.8
[M]+ 604.03619 198.0
[M]- 604.03729 198.0
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.