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 149.7
[M+Na]+ 269.06136 152.4
[M-H]- 245.06486 150.1
[M+NH4]+ 264.10596 165.5
[M+K]+ 285.03530 147.7
[M+H-H2O]+ 229.06940 140.4
[M+HCOO]- 291.07034 166.5
[M+CH3COO]- 305.08599 208.0
[M+Na-2H]- 267.04681 150.3
[M]+ 246.07159 145.9
[M]- 246.07269 145.9
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.