PubChemLite - 852821-06-8 (C26H34N2O5Si)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[Si](C)(C)O[C@@]12[C@@H](CC=CC1=O)[C@@H](C3=C(C2=O)C(=NO3)OCC4=CC=CC=C4)N(C)C

InChI

InChI=1S/C26H34N2O5Si/c1-25(2,3)34(6,7)33-26-18(14-11-15-19(26)29)21(28(4)5)22-20(23(26)30)24(27-32-22)31-16-17-12-9-8-10-13-17/h8-13,15,18,21H,14,16H2,1-7H3/t18-,21-,26-/m0/s1

InChIKey

SLXLVVLJLQJWFG-JCWFFFCVSA-N

Compound name

(4aS,8aS,9S)-4a-[tert-butyl(dimethyl)silyl]oxy-9-(dimethylamino)-3-phenylmethoxy-8a,9-dihydro-8H-benzo[f][1,2]benzoxazole-4,5-dione

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]+	483.23098	212.3
[M+Na]+	505.21292	222.4
[M+NH4]+	500.25752	219.1
[M+K]+	521.18686	217.7
[M-H]-	481.21642	215.9
[M+Na-2H]-	503.19837	216.3
[M]+	482.22315	214.9
[M]-	482.22425	214.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.23098

212.3

[M+Na]+

505.21292

222.4

[M+NH4]+

500.25752

219.1

[M+K]+

521.18686

217.7

[M-H]-

481.21642

215.9

[M+Na-2H]-

503.19837

216.3

[M]+

482.22315

214.9

[M]-

482.22425

214.9

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

852821-06-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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