PubChemLite - 941685-39-8 (C23H32N6OSi)

Structural Information

Molecular Formula

SMILES

C[Si](C)(C)CCOCN1C=CC2=C(N=CN=C21)C3=CN(N=C3)C(CC#N)C4CCCC4

InChI

InChI=1S/C23H32N6OSi/c1-31(2,3)13-12-30-17-28-11-9-20-22(25-16-26-23(20)28)19-14-27-29(15-19)21(8-10-24)18-6-4-5-7-18/h9,11,14-16,18,21H,4-8,12-13,17H2,1-3H3

InChIKey

QHQSWYIJDFMBNE-UHFFFAOYSA-N

Compound name

3-cyclopentyl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile

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]+	437.24798	201.3
[M+Na]+	459.22992	208.1
[M-H]-	435.23342	202.6
[M+NH4]+	454.27452	208.6
[M+K]+	475.20386	201.0
[M+H-H2O]+	419.23796	182.4
[M+HCOO]-	481.23890	211.3
[M+CH3COO]-	495.25455	206.6
[M+Na-2H]-	457.21537	196.7
[M]+	436.24015	198.5
[M]-	436.24125	198.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.24798

201.3

[M+Na]+

459.22992

208.1

[M-H]-

435.23342

202.6

[M+NH4]+

454.27452

208.6

[M+K]+

475.20386

201.0

[M+H-H2O]+

419.23796

182.4

[M+HCOO]-

481.23890

211.3

[M+CH3COO]-

495.25455

206.6

[M+Na-2H]-

457.21537

196.7

[M]+

436.24015

198.5

[M]-

436.24125

198.5

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

941685-39-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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