CID 6413111

Nsc693321

Structural Information

Molecular Formula
C18H32N6S2
SMILES
C/C(=N/NC(=S)N1CCCCCC1)/C(=N\NC(=S)N2CCCCCC2)/C
InChI
InChI=1S/C18H32N6S2/c1-15(19-21-17(25)23-11-7-3-4-8-12-23)16(2)20-22-18(26)24-13-9-5-6-10-14-24/h3-14H2,1-2H3,(H,21,25)(H,22,26)/b19-15-,20-16-
InChIKey
IUBJLNZJBWCARU-IKBKFCNISA-N
Compound name
N-[(Z)-[(3Z)-3-(azepane-1-carbothioylhydrazinylidene)butan-2-ylidene]amino]azepane-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.21298 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.22026 201.2
[M+Na]+ 419.20220 197.7
[M-H]- 395.20570 205.8
[M+NH4]+ 414.24680 207.3
[M+K]+ 435.17614 200.7
[M+H-H2O]+ 379.21024 189.5
[M+HCOO]- 441.21118 204.9
[M+CH3COO]- 455.22683 231.2
[M+Na-2H]- 417.18765 195.5
[M]+ 396.21243 188.9
[M]- 396.21353 188.9
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.