CID 22712659

204376-00-1

Structural Information

Molecular Formula
C18H36N2S3
SMILES
CC(C)CN(CC(C)C)C(=S)SC(=S)N(CC(C)C)CC(C)C
InChI
InChI=1S/C18H36N2S3/c1-13(2)9-19(10-14(3)4)17(21)23-18(22)20(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3
InChIKey
NFZRSOHGHXZUPA-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl)carbamothioyl N,N-bis(2-methylpropyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

376.20407 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21135 188.9
[M+Na]+ 399.19329 191.3
[M+NH4]+ 394.23789 194.7
[M+K]+ 415.16723 183.5
[M-H]- 375.19679 188.5
[M+Na-2H]- 397.17874 187.2
[M]+ 376.20352 190.1
[M]- 376.20462 190.1
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