PubChemLite - 104964-25-2 (C22H24N8O3)

Structural Information

Molecular Formula

SMILES

CN1C=CC2=NC(=NC=C2C1=O)N3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC

InChI

InChI=1S/C22H24N8O3/c1-28-5-4-15-14(20(28)31)12-24-21(25-15)29-6-8-30(9-7-29)22-26-16-11-18(33-3)17(32-2)10-13(16)19(23)27-22/h4-5,10-12H,6-9H2,1-3H3,(H2,23,26,27)

InChIKey

RTFYUSFQWZDTCO-UHFFFAOYSA-N

Compound name

2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-methylpyrido[4,3-d]pyrimidin-5-one

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]+	449.20442	218.6
[M+Na]+	471.18636	229.1
[M-H]-	447.18986	221.1
[M+NH4]+	466.23096	219.1
[M+K]+	487.16030	220.1
[M+H-H2O]+	431.19440	203.5
[M+HCOO]-	493.19534	228.2
[M+CH3COO]-	507.21099	224.1
[M+Na-2H]-	469.17181	222.1
[M]+	448.19659	220.0
[M]-	448.19769	220.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.20442

218.6

[M+Na]+

471.18636

229.1

[M-H]-

447.18986

221.1

[M+NH4]+

466.23096

219.1

[M+K]+

487.16030

220.1

[M+H-H2O]+

431.19440

203.5

[M+HCOO]-

493.19534

228.2

[M+CH3COO]-

507.21099

224.1

[M+Na-2H]-

469.17181

222.1

[M]+

448.19659

220.0

[M]-

448.19769

220.0

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

104964-25-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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