PubChemLite - Alpha-codeimethine (C19H23NO3)

Structural Information

Molecular Formula

SMILES

CN(C)CC[C@@]12[C@H]3C=C[C@@H]([C@@H]1OC4=C(C=CC(=C24)C=C3)OC)O

InChI

InChI=1S/C19H23NO3/c1-20(2)11-10-19-13-6-4-12-5-9-15(22-3)17(16(12)19)23-18(19)14(21)8-7-13/h4-9,13-14,18,21H,10-11H2,1-3H3/t13-,14+,18+,19+/m1/s1

InChIKey

ZOCTZZQDDXGIRB-WXRFYESLSA-N

Compound name

(1R,2S,5R,14S)-14-[2-(dimethylamino)ethyl]-11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-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]+	314.17508	172.4
[M+Na]+	336.15702	184.3
[M+NH4]+	331.20162	183.4
[M+K]+	352.13096	177.2
[M-H]-	312.16052	176.5
[M+Na-2H]-	334.14247	175.3
[M]+	313.16725	175.5
[M]-	313.16835	175.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

314.17508

172.4

[M+Na]+

336.15702

184.3

[M+NH4]+

331.20162

183.4

[M+K]+

352.13096

177.2

[M-H]-

312.16052

176.5

[M+Na-2H]-

334.14247

175.3

[M]+

313.16725

175.5

[M]-

313.16835

175.5

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

Alpha-codeimethine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe