PubChemLite - Gdc-1971 (C25H26N8O)

Structural Information

Molecular Formula

SMILES

C1CC2=C(C=CC=N2)N(C1)C3=NNC4=NC(=CN=C43)N5CCC6(CC5)[C@@H](C7=CC=CC=C7O6)N

InChI

InChI=1S/C25H26N8O/c26-22-16-5-1-2-8-19(16)34-25(22)9-13-32(14-10-25)20-15-28-21-23(29-20)30-31-24(21)33-12-4-6-17-18(33)7-3-11-27-17/h1-3,5,7-8,11,15,22H,4,6,9-10,12-14,26H2,(H,29,30,31)/t22-/m1/s1

InChIKey

RGCGBFIARQENML-JOCHJYFZSA-N

Compound name

(3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine

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]+	455.23024	208.6
[M+Na]+	477.21218	223.7
[M+NH4]+	472.25678	216.4
[M+K]+	493.18612	218.0
[M-H]-	453.21568	215.1
[M+Na-2H]-	475.19763	214.7
[M]+	454.22241	212.7
[M]-	454.22351	212.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.23024

208.6

[M+Na]+

477.21218

223.7

[M+NH4]+

472.25678

216.4

[M+K]+

493.18612

218.0

[M-H]-

453.21568

215.1

[M+Na-2H]-

475.19763

214.7

[M]+

454.22241

212.7

[M]-

454.22351

212.7

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

Gdc-1971

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe