CID 5469847

Nsc693324

Structural Information

Molecular Formula
C16H28N6S2
SMILES
C1CCN(CCC1)C(=S)N/N=C/C=N/NC(=S)N2CCCCCC2
InChI
InChI=1S/C16H28N6S2/c23-15(21-11-5-1-2-6-12-21)19-17-9-10-18-20-16(24)22-13-7-3-4-8-14-22/h9-10H,1-8,11-14H2,(H,19,23)(H,20,24)/b17-9+,18-10+
InChIKey
PXWCPKBGQYDAOI-BEQMOXJMSA-N
Compound name
N-[(E)-[(2E)-2-(azepane-1-carbothioylhydrazinylidene)ethylidene]amino]azepane-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1817 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18898 196.5
[M+Na]+ 391.17092 194.0
[M-H]- 367.17442 201.2
[M+NH4]+ 386.21552 203.5
[M+K]+ 407.14486 196.1
[M+H-H2O]+ 351.17896 184.6
[M+HCOO]- 413.17990 202.2
[M+CH3COO]- 427.19555 225.4
[M+Na-2H]- 389.15637 192.5
[M]+ 368.18115 184.3
[M]- 368.18225 184.3
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.