CID 33295

26087-98-9

Structural Information

Molecular Formula
C14H26N4S4
SMILES
CN1CCCN(CC1)C(=S)SSC(=S)N2CCCN(CC2)C
InChI
InChI=1S/C14H26N4S4/c1-15-5-3-7-17(11-9-15)13(19)21-22-14(20)18-8-4-6-16(2)10-12-18/h3-12H2,1-2H3
InChIKey
NXJOFTRBTBDSHB-UHFFFAOYSA-N
Compound name
(4-methyl-1,4-diazepane-1-carbothioyl)sulfanyl 4-methyl-1,4-diazepane-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

191
References

83
Patents

378.10403 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11131 193.4
[M+Na]+ 401.09325 192.6
[M-H]- 377.09675 192.3
[M+NH4]+ 396.13785 197.6
[M+K]+ 417.06719 191.3
[M+H-H2O]+ 361.10129 182.8
[M+HCOO]- 423.10223 183.1
[M+CH3COO]- 437.11788 194.2
[M+Na-2H]- 399.07870 184.4
[M]+ 378.10348 180.3
[M]- 378.10458 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe