PubChemLite - 2308504-22-3 (C29H28FN5O)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C2N1C=CC(=C2)C(=O)N3CCC[C@H](C3)N)C4=CC5=CC=CC=C5N4CC6=CC=C(C=C6)F

InChI

InChI=1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1

InChIKey

DUVCPNSLXBKGOK-XMMPIXPASA-N

Compound name

[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

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]+	482.23506	218.7
[M+Na]+	504.21700	227.3
[M-H]-	480.22050	227.6
[M+NH4]+	499.26160	225.5
[M+K]+	520.19094	217.6
[M+H-H2O]+	464.22504	205.3
[M+HCOO]-	526.22598	232.9
[M+CH3COO]-	540.24163	225.7
[M+Na-2H]-	502.20245	214.6
[M]+	481.22723	217.6
[M]-	481.22833	217.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.23506

218.7

[M+Na]+

504.21700

227.3

[M-H]-

480.22050

227.6

[M+NH4]+

499.26160

225.5

[M+K]+

520.19094

217.6

[M+H-H2O]+

464.22504

205.3

[M+HCOO]-

526.22598

232.9

[M+CH3COO]-

540.24163

225.7

[M+Na-2H]-

502.20245

214.6

[M]+

481.22723

217.6

[M]-

481.22833

217.6

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

2308504-22-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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