PubChemLite - Schembl2897685 (C23H26FN5O7)

Structural Information

Molecular Formula

SMILES

CN(C)C(=O)C(=O)N1CCOCC1CN2C(=O)C(=C3C(=O)N(CCN3C2=O)CC4=CC=C(C=C4)F)O

InChI

InChI=1S/C23H26FN5O7/c1-25(2)21(33)22(34)27-9-10-36-13-16(27)12-29-20(32)18(30)17-19(31)26(7-8-28(17)23(29)35)11-14-3-5-15(24)6-4-14/h3-6,16,30H,7-13H2,1-2H3

InChIKey

LDMBJBWZUFNDNO-UHFFFAOYSA-N

Compound name

2-[3-[[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-7-yl]methyl]morpholin-4-yl]-N,N-dimethyl-2-oxoacetamide

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]+	504.18892	219.3
[M+Na]+	526.17086	225.0
[M-H]-	502.17436	223.7
[M+NH4]+	521.21546	219.0
[M+K]+	542.14480	222.3
[M+H-H2O]+	486.17890	205.8
[M+HCOO]-	548.17984	226.6
[M+CH3COO]-	562.19549	246.9
[M+Na-2H]-	524.15631	215.6
[M]+	503.18109	218.9
[M]-	503.18219	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

504.18892

219.3

[M+Na]+

526.17086

225.0

[M-H]-

502.17436

223.7

[M+NH4]+

521.21546

219.0

[M+K]+

542.14480

222.3

[M+H-H2O]+

486.17890

205.8

[M+HCOO]-

548.17984

226.6

[M+CH3COO]-

562.19549

246.9

[M+Na-2H]-

524.15631

215.6

[M]+

503.18109

218.9

[M]-

503.18219

218.9

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

Schembl2897685

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe