PubChemLite - Corynoline (C21H21NO5)

Structural Information

Molecular Formula

SMILES

C[C@]12[C@H](CC3=CC4=C(C=C3[C@H]1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O

InChI

InChI=1S/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1

InChIKey

IQUGPRHKZNCHGC-TYPHKJRUSA-N

Compound name

(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol

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]+	368.14925	185.5
[M+Na]+	390.13119	198.8
[M+NH4]+	385.17579	196.1
[M+K]+	406.10513	194.9
[M-H]-	366.13469	193.4
[M+Na-2H]-	388.11664	184.1
[M]+	367.14142	190.0
[M]-	367.14252	190.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

368.14925

185.5

[M+Na]+

390.13119

198.8

[M+NH4]+

385.17579

196.1

[M+K]+

406.10513

194.9

[M-H]-

366.13469

193.4

[M+Na-2H]-

388.11664

184.1

[M]+

367.14142

190.0

[M]-

367.14252

190.0

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

Corynoline

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe