CID 34448

Disulfide, bis((hexahydro-4-isopropyl-1h-1,4-diazepin-1-yl)thiocarbonyl)

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 199.9
[M+Na]+ 457.15585 197.3
[M-H]- 433.15935 198.4
[M+NH4]+ 452.20045 202.4
[M+K]+ 473.12979 196.5
[M+H-H2O]+ 417.16389 189.3
[M+HCOO]- 479.16483 187.3
[M+CH3COO]- 493.18048 199.6
[M+Na-2H]- 455.14130 189.7
[M]+ 434.16608 187.3
[M]- 434.16718 187.3
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.