CID 104340

52841-43-7

Structural Information

Molecular Formula
C14H30N4S2
SMILES
C(CCCCCCSC(=N)N)CCCCCSC(=N)N
InChI
InChI=1S/C14H30N4S2/c15-13(16)19-11-9-7-5-3-1-2-4-6-8-10-12-20-14(17)18/h1-12H2,(H3,15,16)(H3,17,18)
InChIKey
ACLRJYKDXMEGSE-UHFFFAOYSA-N
Compound name
12-carbamimidoylsulfanyldodecyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1912 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19848 172.6
[M+Na]+ 341.18042 172.6
[M-H]- 317.18392 169.1
[M+NH4]+ 336.22502 185.3
[M+K]+ 357.15436 165.9
[M+H-H2O]+ 301.18846 163.8
[M+HCOO]- 363.18940 182.6
[M+CH3COO]- 377.20505 216.4
[M+Na-2H]- 339.16587 168.5
[M]+ 318.19065 171.0
[M]- 318.19175 171.0
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.