PubChemLite - Gdc-0349 (C24H32N6O3)

Structural Information

Molecular Formula

SMILES

CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CCN(C3)C4COC4)C(=N2)N5CCOC[C@@H]5C

InChI

InChI=1S/C24H32N6O3/c1-3-25-24(31)26-18-6-4-17(5-7-18)22-27-21-12-29(19-14-33-15-19)9-8-20(21)23(28-22)30-10-11-32-13-16(30)2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,25,26,31)/t16-/m0/s1

InChIKey

RGJOJUGRHPQXGF-INIZCTEOSA-N

Compound name

1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

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]+	453.26088	212.3
[M+Na]+	475.24282	212.8
[M-H]-	451.24632	218.7
[M+NH4]+	470.28742	206.0
[M+K]+	491.21676	213.1
[M+H-H2O]+	435.25086	191.7
[M+HCOO]-	497.25180	219.3
[M+CH3COO]-	511.26745	216.0
[M+Na-2H]-	473.22827	211.7
[M]+	452.25305	215.4
[M]-	452.25415	215.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.26088

212.3

[M+Na]+

475.24282

212.8

[M-H]-

451.24632

218.7

[M+NH4]+

470.28742

206.0

[M+K]+

491.21676

213.1

[M+H-H2O]+

435.25086

191.7

[M+HCOO]-

497.25180

219.3

[M+CH3COO]-

511.26745

216.0

[M+Na-2H]-

473.22827

211.7

[M]+

452.25305

215.4

[M]-

452.25415

215.4

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

Gdc-0349

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe