CID 3052365

68704-91-6

Structural Information

Molecular Formula
C18H40N2O2S2
SMILES
C(CCCCCSCCC(CO)N)CCCCSCCC(CO)N
InChI
InChI=1S/C18H40N2O2S2/c19-17(15-21)9-13-23-11-7-5-3-1-2-4-6-8-12-24-14-10-18(20)16-22/h17-18,21-22H,1-16,19-20H2
InChIKey
ZAPWGZLADDRYFG-UHFFFAOYSA-N
Compound name
2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.2531 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.26038 189.9
[M+Na]+ 403.24232 187.9
[M-H]- 379.24582 182.8
[M+NH4]+ 398.28692 199.3
[M+K]+ 419.21626 180.9
[M+H-H2O]+ 363.25036 181.5
[M+HCOO]- 425.25130 194.2
[M+CH3COO]- 439.26695 220.0
[M+Na-2H]- 401.22777 182.6
[M]+ 380.25255 192.0
[M]- 380.25365 192.0
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

patents stripe