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

2
Patents

352.22183 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.229106 182.3
[M+Na]+ 375.211048 181.1
[M-H]- 351.214554 175.5
[M+NH4]+ 370.255653 192.8
[M+K]+ 391.184988 174.6
[M+H-H2O]+ 335.219090 174.2
[M+HCOO]- 397.220031 187.2
[M+CH3COO]- 411.235681 214.2
[M+Na-2H]- 373.196496 175.7
[M]+ 352.22128142 183.7
[M]- 352.22237858 183.7
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