CID 6399996

Nsc693331

Structural Information

Molecular Formula
C21H30N6S2
SMILES
C/C(=N\NC(=S)N1CCCCC1)/C(=N/NC(=S)N2CCCCC2)/C3=CC=CC=C3
InChI
InChI=1S/C21H30N6S2/c1-17(22-24-20(28)26-13-7-3-8-14-26)19(18-11-5-2-6-12-18)23-25-21(29)27-15-9-4-10-16-27/h2,5-6,11-12H,3-4,7-10,13-16H2,1H3,(H,24,28)(H,25,29)/b22-17+,23-19-
InChIKey
AGGKOEIEVKBFIK-TYZOZWQUSA-N
Compound name
N-[(E)-[(1E)-1-phenyl-1-(piperidine-1-carbothioylhydrazinylidene)propan-2-ylidene]amino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

430.19733 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.20461 195.6
[M+Na]+ 453.18655 193.0
[M-H]- 429.19005 200.8
[M+NH4]+ 448.23115 202.0
[M+K]+ 469.16049 186.8
[M+H-H2O]+ 413.19459 184.9
[M+HCOO]- 475.19553 201.1
[M+CH3COO]- 489.21118 234.8
[M+Na-2H]- 451.17200 194.3
[M]+ 430.19678 186.1
[M]- 430.19788 186.1
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.