CID 169502216

Hydroxydesmethylquinine

Structural Information

Molecular Formula
C19H22N2O3
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC(=O)NC4=C3C=C(C=C4)O)O
InChI
InChI=1S/C19H22N2O3/c1-2-11-10-21-6-5-12(11)7-17(21)19(24)15-9-18(23)20-16-4-3-13(22)8-14(15)16/h2-4,8-9,11-12,17,19,22,24H,1,5-7,10H2,(H,20,23)/t11-,12-,17-,19+/m0/s1
InChIKey
XBGVSCOXCKMAMX-MBDDYFIWSA-N
Compound name
4-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]-6-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 173.2
[M+Na]+ 349.15228 184.8
[M+NH4]+ 344.19688 181.6
[M+K]+ 365.12622 177.8
[M-H]- 325.15578 171.6
[M+Na-2H]- 347.13773 170.5
[M]+ 326.16251 174.2
[M]- 326.16361 174.2
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.