PubChemLite - Hms3369n19 (C20H22N2O2)

Structural Information

Molecular Formula

SMILES

CN1C[C@]2(C3CC4[C@]5(C2C1C3CO4)C6=CC=CC=C6NC5=O)C=C

InChI

InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11?,13?,15?,16?,17?,19-,20-/m0/s1

InChIKey

NFYYATWFXNPTRM-KJWRJJNGSA-N

Compound name

(2'S,3S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-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]+	323.17540	174.4
[M+Na]+	345.15734	182.9
[M-H]-	321.16084	177.0
[M+NH4]+	340.20194	198.3
[M+K]+	361.13128	175.9
[M+H-H2O]+	305.16538	167.4
[M+HCOO]-	367.16632	182.1
[M+CH3COO]-	381.18197	183.9
[M+Na-2H]-	343.14279	173.7
[M]+	322.16757	172.7
[M]-	322.16867	172.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

323.17540

174.4

[M+Na]+

345.15734

182.9

[M-H]-

321.16084

177.0

[M+NH4]+

340.20194

198.3

[M+K]+

361.13128

175.9

[M+H-H2O]+

305.16538

167.4

[M+HCOO]-

367.16632

182.1

[M+CH3COO]-

381.18197

183.9

[M+Na-2H]-

343.14279

173.7

[M]+

322.16757

172.7

[M]-

322.16867

172.8

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

Hms3369n19

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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