PubChemLite - 14166-33-7 (C23H18N2O4)

Structural Information

Molecular Formula

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46

InChI

InChI=1S/C23H18N2O4/c26-16-10-9-15(21(27)24-16)25-22(28)19-17-11-5-1-2-6-12(11)18(20(19)23(25)29)14-8-4-3-7-13(14)17/h1-8,15,17-20H,9-10H2,(H,24,26,27)

InChIKey

QQTZSRJOZTTZAI-UHFFFAOYSA-N

Compound name

17-(2,6-dioxopiperidin-3-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

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]+	387.13393	184.8
[M+Na]+	409.11587	189.7
[M-H]-	385.11937	188.3
[M+NH4]+	404.16047	198.7
[M+K]+	425.08981	183.0
[M+H-H2O]+	369.12391	173.9
[M+HCOO]-	431.12485	189.9
[M+CH3COO]-	445.14050	191.8
[M+Na-2H]-	407.10132	185.5
[M]+	386.12610	182.3
[M]-	386.12720	182.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

387.13393

184.8

[M+Na]+

409.11587

189.7

[M-H]-

385.11937

188.3

[M+NH4]+

404.16047

198.7

[M+K]+

425.08981

183.0

[M+H-H2O]+

369.12391

173.9

[M+HCOO]-

431.12485

189.9

[M+CH3COO]-

445.14050

191.8

[M+Na-2H]-

407.10132

185.5

[M]+

386.12610

182.3

[M]-

386.12720

182.3

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

14166-33-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe