PubChemLite - Euprocin (C24H34N2O2)

Structural Information

Molecular Formula

SMILES

CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OCCC(C)C)O

InChI

InChI=1S/C24H34N2O2/c1-4-17-15-26-11-8-18(17)13-23(26)24(27)20-7-10-25-22-6-5-19(14-21(20)22)28-12-9-16(2)3/h5-7,10,14,16-18,23-24,27H,4,8-9,11-13,15H2,1-3H3/t17-,18-,23-,24+/m0/s1

InChIKey

CAFOIGUDKPQBIO-BYIOMEFUSA-N

Compound name

(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-(3-methylbutoxy)quinolin-4-yl]methanol

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]+	383.26930	195.8
[M+Na]+	405.25124	196.2
[M-H]-	381.25474	190.8
[M+NH4]+	400.29584	208.8
[M+K]+	421.22518	191.2
[M+H-H2O]+	365.25928	185.8
[M+HCOO]-	427.26022	197.4
[M+CH3COO]-	441.27587	200.0
[M+Na-2H]-	403.23669	199.4
[M]+	382.26147	197.2
[M]-	382.26257	197.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.26930

195.8

[M+Na]+

405.25124

196.2

[M-H]-

381.25474

190.8

[M+NH4]+

400.29584

208.8

[M+K]+

421.22518

191.2

[M+H-H2O]+

365.25928

185.8

[M+HCOO]-

427.26022

197.4

[M+CH3COO]-

441.27587

200.0

[M+Na-2H]-

403.23669

199.4

[M]+

382.26147

197.2

[M]-

382.26257

197.2

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

Euprocin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe