CID 176517031

Schembl30249830

Structural Information

Molecular Formula
C18H38N4S2
SMILES
CSC(=NCCCCCCCCCCCCCCNC(=N)SC)N
InChI
InChI=1S/C18H38N4S2/c1-23-17(19)21-15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-18(20)24-2/h3-16H2,1-2H3,(H2,19,21)(H2,20,22)
InChIKey
IOKDMHHZKWLWKO-UHFFFAOYSA-N
Compound name
methyl N-[14-[[amino(methylsulfanyl)methylidene]amino]tetradecyl]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.25378 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.26106 190.1
[M+Na]+ 397.24300 189.0
[M-H]- 373.24650 187.9
[M+NH4]+ 392.28760 201.7
[M+K]+ 413.21694 182.6
[M+H-H2O]+ 357.25104 180.4
[M+HCOO]- 419.25198 200.9
[M+CH3COO]- 433.26763 229.7
[M+Na-2H]- 395.22845 185.6
[M]+ 374.25323 192.6
[M]- 374.25433 192.6
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

No patent data available for this compound.