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 168.8
[M+Na]+ 327.16476 169.2
[M-H]- 303.16826 165.5
[M+NH4]+ 322.20936 182.0
[M+K]+ 343.13870 162.7
[M+H-H2O]+ 287.17280 160.2
[M+HCOO]- 349.17374 179.0
[M+CH3COO]- 363.18939 213.5
[M+Na-2H]- 325.15021 165.0
[M]+ 304.17499 166.8
[M]- 304.17609 166.8
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.