PubChemLite - Marbostat-100 (C22H20N4O4)

Structural Information

Molecular Formula

SMILES

CN1C(=O)C2CN(C1=O)CC3=C2C4=CC=CC=C4N3CC5=CC=C(C=C5)C(=O)NO

InChI

InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)

InChIKey

ZCAIUGLOTHAUQX-UHFFFAOYSA-N

Compound name

N-hydroxy-4-[(14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide

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]+	405.15575	194.9
[M+Na]+	427.13769	203.3
[M-H]-	403.14119	198.0
[M+NH4]+	422.18229	205.8
[M+K]+	443.11163	196.8
[M+H-H2O]+	387.14573	185.0
[M+HCOO]-	449.14667	207.0
[M+CH3COO]-	463.16232	202.9
[M+Na-2H]-	425.12314	197.1
[M]+	404.14792	195.9
[M]-	404.14902	195.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

405.15575

194.9

[M+Na]+

427.13769

203.3

[M-H]-

403.14119

198.0

[M+NH4]+

422.18229

205.8

[M+K]+

443.11163

196.8

[M+H-H2O]+

387.14573

185.0

[M+HCOO]-

449.14667

207.0

[M+CH3COO]-

463.16232

202.9

[M+Na-2H]-

425.12314

197.1

[M]+

404.14792

195.9

[M]-

404.14902

195.9

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

Marbostat-100

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe