PubChemLite - 2138072-66-7 (C23H23NO5)

Structural Information

Molecular Formula

SMILES

C1COC[C@H]2[C@@]1(CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

InChI

InChI=1S/C23H23NO5/c25-21(26)23-9-10-28-12-15(23)11-24(14-23)22(27)29-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,25,26)/t15-,23+/m0/s1

InChIKey

DHJKGVRAKBFRCL-NPMXOYFQSA-N

Compound name

(3aS,7aS)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid

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]+	394.16490	192.1
[M+Na]+	416.14684	197.1
[M-H]-	392.15034	198.7
[M+NH4]+	411.19144	207.6
[M+K]+	432.12078	193.6
[M+H-H2O]+	376.15488	184.8
[M+HCOO]-	438.15582	203.7
[M+CH3COO]-	452.17147	200.7
[M+Na-2H]-	414.13229	191.5
[M]+	393.15707	191.4
[M]-	393.15817	191.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

394.16490

192.1

[M+Na]+

416.14684

197.1

[M-H]-

392.15034

198.7

[M+NH4]+

411.19144

207.6

[M+K]+

432.12078

193.6

[M+H-H2O]+

376.15488

184.8

[M+HCOO]-

438.15582

203.7

[M+CH3COO]-

452.17147

200.7

[M+Na-2H]-

414.13229

191.5

[M]+

393.15707

191.4

[M]-

393.15817

191.4

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

2138072-66-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe