CID 73065

Lycoricidine

Structural Information

Molecular Formula
C14H13NO6
SMILES
C1OC2=C(O1)C=C3C(=C2)C4=C[C@@H]([C@H]([C@H]([C@@H]4NC3=O)O)O)O
InChI
InChI=1S/C14H13NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h1-3,8,11-13,16-18H,4H2,(H,15,19)/t8-,11+,12+,13-/m0/s1
InChIKey
YYDLFVZOIDOGSO-KKBFJBPOSA-N
Compound name
(2S,3R,4S,4aR)-2,3,4-trihydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

134
Patents

291.07428 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08156 160.3
[M+Na]+ 314.06350 168.9
[M-H]- 290.06700 161.8
[M+NH4]+ 309.10810 174.3
[M+K]+ 330.03744 166.2
[M+H-H2O]+ 274.07154 155.0
[M+HCOO]- 336.07248 169.3
[M+CH3COO]- 350.08813 170.5
[M+Na-2H]- 312.04895 164.3
[M]+ 291.07373 158.6
[M]- 291.07483 158.6
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