CID 6399993

Nsc693328

Structural Information

Molecular Formula
C20H28N6S2
SMILES
C1CCN(CC1)C(=S)N/N=C/C(=N/NC(=S)N2CCCCC2)/C3=CC=CC=C3
InChI
InChI=1S/C20H28N6S2/c27-19(25-12-6-2-7-13-25)23-21-16-18(17-10-4-1-5-11-17)22-24-20(28)26-14-8-3-9-15-26/h1,4-5,10-11,16H,2-3,6-9,12-15H2,(H,23,27)(H,24,28)/b21-16+,22-18-
InChIKey
XRGYHCAZIJPKDQ-CBGMTOCYSA-N
Compound name
N-[(E)-[(2E)-2-phenyl-2-(piperidine-1-carbothioylhydrazinylidene)ethylidene]amino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1817 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.18898 191.4
[M+Na]+ 439.17092 189.6
[M-H]- 415.17442 196.8
[M+NH4]+ 434.21552 198.5
[M+K]+ 455.14486 183.0
[M+H-H2O]+ 399.17896 180.6
[M+HCOO]- 461.17990 198.3
[M+CH3COO]- 475.19555 231.0
[M+Na-2H]- 437.15637 191.4
[M]+ 416.18115 182.1
[M]- 416.18225 182.1
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.