CID 34448

Bis((hexahydro-4-isopropyl-1h-1,4-diazepin-1-yl)thiocarbonyl)disulfide

Structural Information

Molecular Formula
C18H34N4S4
SMILES
CC(C)N1CCCN(CC1)C(=S)SSC(=S)N2CCCN(CC2)C(C)C
InChI
InChI=1S/C18H34N4S4/c1-15(2)19-7-5-9-21(13-11-19)17(23)25-26-18(24)22-10-6-8-20(12-14-22)16(3)4/h15-16H,5-14H2,1-4H3
InChIKey
PDSBJVXVDCGRNL-UHFFFAOYSA-N
Compound name
(4-propan-2-yl-1,4-diazepane-1-carbothioyl)sulfanyl 4-propan-2-yl-1,4-diazepane-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.16663 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17391 196.9
[M+Na]+ 457.15585 198.7
[M+NH4]+ 452.20045 200.5
[M+K]+ 473.12979 192.3
[M-H]- 433.15935 197.0
[M+Na-2H]- 455.14130 195.3
[M]+ 434.16608 198.2
[M]- 434.16718 198.2
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.