PubChemLite - Schembl14129795 (C25H25FN4O4)

Structural Information

Molecular Formula

SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2=CN3CCN(C(=O)C3=C(C2=O)O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O4/c1-28(2)19-9-5-16(6-10-19)13-27-24(33)20-15-29-11-12-30(14-17-3-7-18(26)8-4-17)25(34)21(29)23(32)22(20)31/h3-10,15,32H,11-14H2,1-2H3,(H,27,33)

InChIKey

NDBUMLXMKSXUHS-UHFFFAOYSA-N

Compound name

N-[[4-(dimethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-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]+	465.19325	212.4
[M+Na]+	487.17519	218.5
[M-H]-	463.17869	218.9
[M+NH4]+	482.21979	217.7
[M+K]+	503.14913	213.1
[M+H-H2O]+	447.18323	199.2
[M+HCOO]-	509.18417	228.1
[M+CH3COO]-	523.19982	243.7
[M+Na-2H]-	485.16064	211.8
[M]+	464.18542	211.9
[M]-	464.18652	211.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.19325

212.4

[M+Na]+

487.17519

218.5

[M-H]-

463.17869

218.9

[M+NH4]+

482.21979

217.7

[M+K]+

503.14913

213.1

[M+H-H2O]+

447.18323

199.2

[M+HCOO]-

509.18417

228.1

[M+CH3COO]-

523.19982

243.7

[M+Na-2H]-

485.16064

211.8

[M]+

464.18542

211.9

[M]-

464.18652

211.9

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

Schembl14129795

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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