CID 116336

64039-25-4

Structural Information

Molecular Formula
C13H28N4S2
SMILES
C(CCCCCSC(=N)N)CCCCCSC(=N)N
InChI
InChI=1S/C13H28N4S2/c14-12(15)18-10-8-6-4-2-1-3-5-7-9-11-19-13(16)17/h1-11H2,(H3,14,15)(H3,16,17)
InChIKey
FYCLSRWGMLDDPC-UHFFFAOYSA-N
Compound name
11-carbamimidoylsulfanylundecyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17554 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18282 170.6
[M+Na]+ 327.16476 172.7
[M+NH4]+ 322.20936 175.9
[M+K]+ 343.13870 164.5
[M-H]- 303.16826 170.6
[M+Na-2H]- 325.15021 169.7
[M]+ 304.17499 171.0
[M]- 304.17609 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.