PubChemLite - 2172229-46-6 (C27H30N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CN(CC2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C27H30N2O6/c1-26(2,3)35-25(33)29-15-27(16-29)14-28(12-22(27)23(30)31)24(32)34-13-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22H,12-16H2,1-3H3,(H,30,31)

InChIKey

LQWXWUXEBGFKOS-UHFFFAOYSA-N

Compound name

7-(9H-fluoren-9-ylmethoxycarbonyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-5-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]+	479.21768	214.6
[M+Na]+	501.19962	217.9
[M+NH4]+	496.24422	216.2
[M+K]+	517.17356	218.0
[M-H]-	477.20312	211.8
[M+Na-2H]-	499.18507	213.5
[M]+	478.20985	212.8
[M]-	478.21095	212.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.21768

214.6

[M+Na]+

501.19962

217.9

[M+NH4]+

496.24422

216.2

[M+K]+

517.17356

218.0

[M-H]-

477.20312

211.8

[M+Na-2H]-

499.18507

213.5

[M]+

478.20985

212.8

[M]-

478.21095

212.8

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

2172229-46-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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