PubChemLite - 212378-89-7 (C24H31NO2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=N[C@@H]2[C@@H](CC3=CC=CC=C23)O

InChI

InChI=1S/C24H31NO2/c1-23(2,3)17-11-16(22(27)19(13-17)24(4,5)6)14-25-21-18-10-8-7-9-15(18)12-20(21)26/h7-11,13-14,20-21,26-27H,12H2,1-6H3/t20-,21+/m1/s1

InChIKey

MMNHXVSQIRTBOZ-RTWAWAEBSA-N

Compound name

(1S,2R)-1-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-inden-2-ol

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]+	366.24275	192.7
[M+Na]+	388.22469	204.0
[M+NH4]+	383.26929	199.9
[M+K]+	404.19863	199.1
[M-H]-	364.22819	196.1
[M+Na-2H]-	386.21014	197.4
[M]+	365.23492	195.4
[M]-	365.23602	195.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

366.24275

192.7

[M+Na]+

388.22469

204.0

[M+NH4]+

383.26929

199.9

[M+K]+

404.19863

199.1

[M-H]-

364.22819

196.1

[M+Na-2H]-

386.21014

197.4

[M]+

365.23492

195.4

[M]-

365.23602

195.4

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

212378-89-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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