PubChemLite - 104964-10-5 (C23H26N8O3)

Structural Information

Molecular Formula

SMILES

CCN1C=CC2=NC(=NC=C2C1=O)N3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC

InChI

InChI=1S/C23H26N8O3/c1-4-29-6-5-16-15(21(29)32)13-25-22(26-16)30-7-9-31(10-8-30)23-27-17-12-19(34-3)18(33-2)11-14(17)20(24)28-23/h5-6,11-13H,4,7-10H2,1-3H3,(H2,24,27,28)

InChIKey

DUKYXEMCQHEFNL-UHFFFAOYSA-N

Compound name

2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-ethylpyrido[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]+	463.22008	222.5
[M+Na]+	485.20202	232.4
[M-H]-	461.20552	224.8
[M+NH4]+	480.24662	222.4
[M+K]+	501.17596	223.4
[M+H-H2O]+	445.21006	207.1
[M+HCOO]-	507.21100	231.7
[M+CH3COO]-	521.22665	227.5
[M+Na-2H]-	483.18747	225.5
[M]+	462.21225	224.1
[M]-	462.21335	224.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.22008

222.5

[M+Na]+

485.20202

232.4

[M-H]-

461.20552

224.8

[M+NH4]+

480.24662

222.4

[M+K]+

501.17596

223.4

[M+H-H2O]+

445.21006

207.1

[M+HCOO]-

507.21100

231.7

[M+CH3COO]-

521.22665

227.5

[M+Na-2H]-

483.18747

225.5

[M]+

462.21225

224.1

[M]-

462.21335

224.1

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

104964-10-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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