PubChemLite - Nsc657434 (C22H16N2O6)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)N2)/C=C\3/C(=O)C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H16N2O6/c1-2-29-17-9-5-3-7-13(17)11-16-20(26)24(22(28)23-16)12-15-19(25)14-8-4-6-10-18(14)30-21(15)27/h3-12H,2H2,1H3,(H,23,28)/b15-12-,16-11-

InChIKey

HXCFWRDKNVJZBL-IDLVQZBLSA-N

Compound name

(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-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]+	405.10811	194.5
[M+Na]+	427.09005	202.8
[M-H]-	403.09355	202.1
[M+NH4]+	422.13465	202.9
[M+K]+	443.06399	197.2
[M+H-H2O]+	387.09809	184.9
[M+HCOO]-	449.09903	209.0
[M+CH3COO]-	463.11468	220.6
[M+Na-2H]-	425.07550	192.5
[M]+	404.10028	194.2
[M]-	404.10138	194.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

405.10811

194.5

[M+Na]+

427.09005

202.8

[M-H]-

403.09355

202.1

[M+NH4]+

422.13465

202.9

[M+K]+

443.06399

197.2

[M+H-H2O]+

387.09809

184.9

[M+HCOO]-

449.09903

209.0

[M+CH3COO]-

463.11468

220.6

[M+Na-2H]-

425.07550

192.5

[M]+

404.10028

194.2

[M]-

404.10138

194.2

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

Nsc657434

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe