PubChemLite - 2490401-41-5 (C24H23NO6)

Structural Information

Molecular Formula

SMILES

C1C2(CC1(C3(O2)COC3)C(=O)O)CNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C24H23NO6/c26-20(27)23-10-22(11-23,31-24(23)13-29-14-24)12-25-21(28)30-9-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,25,28)(H,26,27)

InChIKey

UGDZDRLLBRAUKT-UHFFFAOYSA-N

Compound name

1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]spiro[2-oxabicyclo[2.1.1]hexane-3,3'-oxetane]-4-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]+	422.15981	195.7
[M+Na]+	444.14175	196.9
[M-H]-	420.14525	203.8
[M+NH4]+	439.18635	204.2
[M+K]+	460.11569	200.6
[M+H-H2O]+	404.14979	185.1
[M+HCOO]-	466.15073	204.7
[M+CH3COO]-	480.16638	202.6
[M+Na-2H]-	442.12720	198.4
[M]+	421.15198	218.0
[M]-	421.15308	218.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.15981

195.7

[M+Na]+

444.14175

196.9

[M-H]-

420.14525

203.8

[M+NH4]+

439.18635

204.2

[M+K]+

460.11569

200.6

[M+H-H2O]+

404.14979

185.1

[M+HCOO]-

466.15073

204.7

[M+CH3COO]-

480.16638

202.6

[M+Na-2H]-

442.12720

198.4

[M]+

421.15198

218.0

[M]-

421.15308

218.0

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

2490401-41-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe