PubChemLite - Chembl551402 (C20H24FN5O4)

Structural Information

Molecular Formula

SMILES

CC1(C2=NC(=C(C(=O)N2CCN1CC(=O)NC)O)C(=O)NCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H24FN5O4/c1-20(2)19-24-15(17(29)23-10-12-4-6-13(21)7-5-12)16(28)18(30)26(19)9-8-25(20)11-14(27)22-3/h4-7,28H,8-11H2,1-3H3,(H,22,27)(H,23,29)

InChIKey

POFCYNJJOBBHMW-UHFFFAOYSA-N

Compound name

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[2-(methylamino)-2-oxoethyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide

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]+	418.18852	198.6
[M+Na]+	440.17046	206.0
[M-H]-	416.17396	200.0
[M+NH4]+	435.21506	206.8
[M+K]+	456.14440	201.3
[M+H-H2O]+	400.17850	187.9
[M+HCOO]-	462.17944	212.4
[M+CH3COO]-	476.19509	231.0
[M+Na-2H]-	438.15591	200.1
[M]+	417.18069	198.1
[M]-	417.18179	198.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

418.18852

198.6

[M+Na]+

440.17046

206.0

[M-H]-

416.17396

200.0

[M+NH4]+

435.21506

206.8

[M+K]+

456.14440

201.3

[M+H-H2O]+

400.17850

187.9

[M+HCOO]-

462.17944

212.4

[M+CH3COO]-

476.19509

231.0

[M+Na-2H]-

438.15591

200.1

[M]+

417.18069

198.1

[M]-

417.18179

198.1

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

Chembl551402

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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