CID 142773

Ritrosulfan

Structural Information

Molecular Formula
C10H24N2O8S2
SMILES
CS(=O)(=O)OCCNC[C@H]([C@H](CNCCOS(=O)(=O)C)O)O
InChI
InChI=1S/C10H24N2O8S2/c1-21(15,16)19-5-3-11-7-9(13)10(14)8-12-4-6-20-22(2,17)18/h9-14H,3-8H2,1-2H3/t9-,10+
InChIKey
BYZJBHCTZJGJFV-AOOOYVTPSA-N
Compound name
2-[[(2S,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

542
Patents

364.0974 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10468 176.4
[M+Na]+ 387.08662 177.2
[M-H]- 363.09012 171.5
[M+NH4]+ 382.13122 185.8
[M+K]+ 403.06056 174.5
[M+H-H2O]+ 347.09466 169.1
[M+HCOO]- 409.09560 183.5
[M+CH3COO]- 423.11125 208.5
[M+Na-2H]- 385.07207 178.4
[M]+ 364.09685 181.8
[M]- 364.09795 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe