PubChemLite - 70553-75-2 (C32H39NO4)

Structural Information

Molecular Formula

SMILES

CC1(C2C(=O)C=C3C4(CCC5CC6=C(C5(C4(CCC3(O2)O1)C)C)NC7=CC=CC(=C67)C(C)(C)C=C)O)C

InChI

InChI=1S/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3

InChIKey

YVDJBQQJIDPRKP-UHFFFAOYSA-N

Compound name

19-hydroxy-4,5,24,24-tetramethyl-12-(2-methylbut-3-en-2-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-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]+	502.29518	214.2
[M+Na]+	524.27712	222.8
[M+NH4]+	519.32172	228.4
[M+K]+	540.25106	213.3
[M-H]-	500.28062	217.1
[M+Na-2H]-	522.26257	215.1
[M]+	501.28735	217.1
[M]-	501.28845	217.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.29518

214.2

[M+Na]+

524.27712

222.8

[M+NH4]+

519.32172

228.4

[M+K]+

540.25106

213.3

[M-H]-

500.28062

217.1

[M+Na-2H]-

522.26257

215.1

[M]+

501.28735

217.1

[M]-

501.28845

217.1

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

70553-75-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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