PubChemLite - Nsc691701 (C19H24N4O6)

Structural Information

Molecular Formula

SMILES

CN1C=CC(=C(C1=O)O)C(=O)NCCCCCNC(=O)C2=C(C(=O)N(C=C2)C)O

InChI

InChI=1S/C19H24N4O6/c1-22-10-6-12(14(24)18(22)28)16(26)20-8-4-3-5-9-21-17(27)13-7-11-23(2)19(29)15(13)25/h6-7,10-11,24-25H,3-5,8-9H2,1-2H3,(H,20,26)(H,21,27)

InChIKey

PTRIKZMKNNEQSG-UHFFFAOYSA-N

Compound name

3-hydroxy-N-[5-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]-1-methyl-2-oxopyridine-4-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]+	405.17688	194.3
[M+Na]+	427.15882	201.0
[M-H]-	403.16232	196.6
[M+NH4]+	422.20342	200.7
[M+K]+	443.13276	197.0
[M+H-H2O]+	387.16686	184.4
[M+HCOO]-	449.16780	213.0
[M+CH3COO]-	463.18345	226.5
[M+Na-2H]-	425.14427	193.6
[M]+	404.16905	197.6
[M]-	404.17015	197.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

405.17688

194.3

[M+Na]+

427.15882

201.0

[M-H]-

403.16232

196.6

[M+NH4]+

422.20342

200.7

[M+K]+

443.13276

197.0

[M+H-H2O]+

387.16686

184.4

[M+HCOO]-

449.16780

213.0

[M+CH3COO]-

463.18345

226.5

[M+Na-2H]-

425.14427

193.6

[M]+

404.16905

197.6

[M]-

404.17015

197.6

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

Nsc691701

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe