CID 23643976

Riviciclib

Structural Information

Molecular Formula
C21H20ClNO5
SMILES
CN1CC[C@H]([C@@H]1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
InChI
InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3/t12-,14+/m1/s1
InChIKey
QLUYMIVVAYRECT-OCCSQVGLSA-N
Compound name
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

975
Patents

401.103 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11028 193.4
[M+Na]+ 424.09222 208.8
[M+NH4]+ 419.13682 200.0
[M+K]+ 440.06616 203.8
[M-H]- 400.09572 198.9
[M+Na-2H]- 422.07767 198.0
[M]+ 401.10245 197.4
[M]- 401.10355 197.4
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