CID 72376

Narciclasine

Structural Information

Molecular Formula
C14H13NO7
SMILES
C1OC2=C(O1)C(=C3C(=C2)C4=C[C@@H]([C@H]([C@H]([C@@H]4NC3=O)O)O)O)O
InChI
InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1
InChIKey
LZAZURSABQIKGB-AEKGRLRDSA-N
Compound name
(2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

98
References

374
Patents

307.0692 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.07648 166.2
[M+Na]+ 330.05842 176.2
[M+NH4]+ 325.10302 171.8
[M+K]+ 346.03236 176.0
[M-H]- 306.06192 167.3
[M+Na-2H]- 328.04387 163.0
[M]+ 307.06865 167.5
[M]- 307.06975 167.5
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