PubChemLite - Corycavamine (C21H21NO5)

Structural Information

Molecular Formula

SMILES

C[C@@H]1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5

InChI

InChI=1S/C21H21NO5/c1-12-14-3-4-17-21(27-11-24-17)16(14)9-22(2)6-5-13-7-18-19(26-10-25-18)8-15(13)20(12)23/h3-4,7-8,12H,5-6,9-11H2,1-2H3/t12-/m1/s1

InChIKey

WOLWLEQYUFDNTA-GFCCVEGCSA-N

Compound name

(2R)-2,15-dimethyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one

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	179.8
[M+Na]+	390.13119	188.9
[M-H]-	366.13469	186.1
[M+NH4]+	385.17579	190.7
[M+K]+	406.10513	189.7
[M+H-H2O]+	350.13923	178.4
[M+HCOO]-	412.14017	190.4
[M+CH3COO]-	426.15582	190.0
[M+Na-2H]-	388.11664	180.5
[M]+	367.14142	181.6
[M]-	367.14252	181.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

368.14925

179.8

[M+Na]+

390.13119

188.9

[M-H]-

366.13469

186.1

[M+NH4]+

385.17579

190.7

[M+K]+

406.10513

189.7

[M+H-H2O]+

350.13923

178.4

[M+HCOO]-

412.14017

190.4

[M+CH3COO]-

426.15582

190.0

[M+Na-2H]-

388.11664

180.5

[M]+

367.14142

181.6

[M]-

367.14252

181.6

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

Corycavamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe