CID 45279

63917-39-5

Structural Information

Molecular Formula
C22H48N2S10
SMILES
CN(C)NCCSCCSCCSCCSCCSCCSCCSCCSCCSCCS
InChI
InChI=1S/C22H48N2S10/c1-24(2)23-3-5-26-7-9-28-11-13-30-15-17-32-19-21-34-22-20-33-18-16-31-14-12-29-10-8-27-6-4-25/h23,25H,3-22H2,1-2H3
InChIKey
LMZKIXJWBUADEA-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2-dimethylhydrazinyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

660.1025 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.10978 291.0
[M+Na]+ 683.09172 287.4
[M-H]- 659.09522 275.7
[M+NH4]+ 678.13632 285.5
[M+K]+ 699.06566 259.8
[M+H-H2O]+ 643.09976 277.4
[M+HCOO]- 705.10070 260.5
[M+CH3COO]- 719.11635 256.9
[M+Na-2H]- 681.07717 290.5
[M]+ 660.10195 262.6
[M]- 660.10305 262.6
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.