PubChemLite - Schembl2900625 (C23H29FN4O5)

Structural Information

Molecular Formula

SMILES

CC(C)N1C(=O)C(=C2C(=O)N(CC(N2C1=O)CCN3CCOCC3)CC4=CC=C(C=C4)F)O

InChI

InChI=1S/C23H29FN4O5/c1-15(2)27-22(31)20(29)19-21(30)26(13-16-3-5-17(24)6-4-16)14-18(28(19)23(27)32)7-8-25-9-11-33-12-10-25/h3-6,15,18,29H,7-14H2,1-2H3

InChIKey

LGYVDUPXEYWNAI-UHFFFAOYSA-N

Compound name

2-[(4-fluorophenyl)methyl]-9-hydroxy-4-(2-morpholin-4-ylethyl)-7-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione

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]+	461.21948	216.1
[M+Na]+	483.20142	222.8
[M-H]-	459.20492	218.8
[M+NH4]+	478.24602	217.6
[M+K]+	499.17536	217.3
[M+H-H2O]+	443.20946	202.3
[M+HCOO]-	505.21040	222.0
[M+CH3COO]-	519.22605	235.7
[M+Na-2H]-	481.18687	212.1
[M]+	460.21165	214.3
[M]-	460.21275	214.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.21948

216.1

[M+Na]+

483.20142

222.8

[M-H]-

459.20492

218.8

[M+NH4]+

478.24602

217.6

[M+K]+

499.17536

217.3

[M+H-H2O]+

443.20946

202.3

[M+HCOO]-

505.21040

222.0

[M+CH3COO]-

519.22605

235.7

[M+Na-2H]-

481.18687

212.1

[M]+

460.21165

214.3

[M]-

460.21275

214.3

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

Schembl2900625

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe