Lycorine (C16H17NO4)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.123026	159.7
[M+Na]+	310.104968	167.5
[M-H]-	286.108474	163.5
[M+NH4]+	305.149573	178.1
[M+K]+	326.078908	164.7
[M+H-H2O]+	270.113010	154.9
[M+HCOO]-	332.113951	169.7
[M+CH3COO]-	346.129601	170.5
[M+Na-2H]-	308.090416	162.6
[M]+	287.11520142	159.3
[M]-	287.11629858	159.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

288.123026

159.7

[M+Na]+

310.104968

167.5

[M-H]-

286.108474

163.5

[M+NH4]+

305.149573

178.1

[M+K]+

326.078908

164.7

[M+H-H2O]+

270.113010

154.9

[M+HCOO]-

332.113951

169.7

[M+CH3COO]-

346.129601

170.5

[M+Na-2H]-

308.090416

162.6

[M]+

287.11520142

159.3

[M]-

287.11629858

159.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Lycorine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe