CID 470040

[(4s,6r)-4-(2,6-dichloroimidazo[1,2-a]pyridin-5-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol

Structural Information

Molecular Formula
C15H16Cl2N2O4
SMILES
CC1(OC2[C@H](O[C@H](C2O1)C3=C(C=CC4=NC(=CN43)Cl)Cl)CO)C
InChI
InChI=1S/C15H16Cl2N2O4/c1-15(2)22-12-8(6-20)21-13(14(12)23-15)11-7(16)3-4-10-18-9(17)5-19(10)11/h3-5,8,12-14,20H,6H2,1-2H3/t8-,12?,13+,14?/m1/s1
InChIKey
HAWUBAPVDZVVBG-NWFITAGSSA-N
Compound name
[(4S,6R)-4-(2,6-dichloroimidazo[1,2-a]pyridin-5-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0487 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05598 179.9
[M+Na]+ 381.03792 192.8
[M-H]- 357.04142 187.2
[M+NH4]+ 376.08252 196.7
[M+K]+ 397.01186 190.0
[M+H-H2O]+ 341.04596 176.3
[M+HCOO]- 403.04690 186.6
[M+CH3COO]- 417.06255 191.8
[M+Na-2H]- 379.02337 179.1
[M]+ 358.04815 188.6
[M]- 358.04925 188.6
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.