PubChemLite - Silanediol, 17a (C34H38N2O4Si)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C[C@H](C[Si](C[C@@H](CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)(O)O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C34H38N2O4Si/c37-33(35-23-29-17-9-3-10-18-29)31(21-27-13-5-1-6-14-27)25-41(39,40)26-32(22-28-15-7-2-8-16-28)34(38)36-24-30-19-11-4-12-20-30/h1-20,31-32,39-40H,21-26H2,(H,35,37)(H,36,38)/t31-,32-/m1/s1

InChIKey

PPXFOGCBICRTOP-ROJLCIKYSA-N

Compound name

(2S)-N,2-dibenzyl-3-[[(2S)-2-benzyl-3-(benzylamino)-3-oxopropyl]-dihydroxysilyl]propanamide

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]+	567.26738	234.5
[M+Na]+	589.24932	230.2
[M-H]-	565.25282	241.0
[M+NH4]+	584.29392	234.3
[M+K]+	605.22326	224.7
[M+H-H2O]+	549.25736	222.1
[M+HCOO]-	611.25830	248.2
[M+CH3COO]-	625.27395	250.5
[M+Na-2H]-	587.23477	233.9
[M]+	566.25955	231.0
[M]-	566.26065	231.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

567.26738

234.5

[M+Na]+

589.24932

230.2

[M-H]-

565.25282

241.0

[M+NH4]+

584.29392

234.3

[M+K]+

605.22326

224.7

[M+H-H2O]+

549.25736

222.1

[M+HCOO]-

611.25830

248.2

[M+CH3COO]-

625.27395

250.5

[M+Na-2H]-

587.23477

233.9

[M]+

566.25955

231.0

[M]-

566.26065

231.0

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

Silanediol, 17a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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