CID 6454185

Einecs 282-252-3

Structural Information

Molecular Formula
C15H16Cl2N2O5S
SMILES
CS(=O)(=O)OC[C@@H]1CO[C@@](O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H16Cl2N2O5S/c1-25(20,21)23-8-12-7-22-15(24-12,9-19-5-4-18-10-19)13-3-2-11(16)6-14(13)17/h2-6,10,12H,7-9H2,1H3/t12-,15+/m0/s1
InChIKey
RSLKNHRJTOZPGF-SWLSCSKDSA-N
Compound name
[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

406.0157 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.02298 186.1
[M+Na]+ 429.00492 198.3
[M+NH4]+ 424.04952 193.4
[M+K]+ 444.97886 193.1
[M-H]- 405.00842 190.1
[M+Na-2H]- 426.99037 191.9
[M]+ 406.01515 190.1
[M]- 406.01625 190.1
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