CID 9554791

Glutaraldehyde, bisthiosemicarbazone

Structural Information

Molecular Formula
C7H14N6S2
SMILES
C(C/C=N/NC(=S)N)C/C=N/NC(=S)N
InChI
InChI=1S/C7H14N6S2/c8-6(14)12-10-4-2-1-3-5-11-13-7(9)15/h4-5H,1-3H2,(H3,8,12,14)(H3,9,13,15)/b10-4+,11-5+
InChIKey
LYURNKYZINZCSX-ZVSIBQGLSA-N
Compound name
[(E)-[(5E)-5-(carbamothioylhydrazinylidene)pentylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.07214 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07942 152.8
[M+Na]+ 269.06136 154.7
[M+NH4]+ 264.10596 158.1
[M+K]+ 285.03530 147.9
[M-H]- 245.06486 153.9
[M+Na-2H]- 267.04681 153.7
[M]+ 246.07159 153.3
[M]- 246.07269 153.3
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.