CID 3052362

68704-82-5

Structural Information

Molecular Formula
C16H36N2O2S2
SMILES
C(CCCCCSCC(CO)N)CCCCSCC(CO)N
InChI
InChI=1S/C16H36N2O2S2/c17-15(11-19)13-21-9-7-5-3-1-2-4-6-8-10-22-14-16(18)12-20/h15-16,19-20H,1-14,17-18H2
InChIKey
BOWVRHSNOIOWCH-UHFFFAOYSA-N
Compound name
2-amino-3-[10-(2-amino-3-hydroxypropyl)sulfanyldecylsulfanyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.22183 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22911 182.6
[M+Na]+ 375.21105 184.5
[M+NH4]+ 370.25565 187.2
[M+K]+ 391.18499 176.7
[M-H]- 351.21455 180.5
[M+Na-2H]- 373.19650 179.8
[M]+ 352.22128 182.5
[M]- 352.22238 182.5
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

patents stripe