CID 72378

Lycorine

Structural Information

Molecular Formula
C16H17NO4
SMILES
C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=C[C@@H]([C@H]5O)O)OCO4
InChI
InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1
InChIKey
XGVJWXAYKUHDOO-DANNLKNASA-N
Compound name
(1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

322
References

1611
Patents

287.11575 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 159.7
[M+Na]+ 310.10497 167.5
[M-H]- 286.10847 163.5
[M+NH4]+ 305.14957 178.1
[M+K]+ 326.07891 164.7
[M+H-H2O]+ 270.11301 154.9
[M+HCOO]- 332.11395 169.7
[M+CH3COO]- 346.12960 170.5
[M+Na-2H]- 308.09042 162.6
[M]+ 287.11520 159.3
[M]- 287.11630 159.3
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.