PubChemLite - 618077-39-7 (C24H25NO6)

Structural Information

Molecular Formula

SMILES

COCCN1C(/C(=C(/C2=CC=C(C=C2)OCC=C)\O)/C(=O)C1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H25NO6/c1-4-14-31-19-11-7-17(8-12-19)22(26)20-21(16-5-9-18(30-3)10-6-16)25(13-15-29-2)24(28)23(20)27/h4-12,21,26H,1,13-15H2,2-3H3/b22-20+

InChIKey

UMCNTHRUTZFXQP-LSDHQDQOSA-N

Compound name

(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-methoxyethyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-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]+	424.17546	200.1
[M+Na]+	446.15740	206.3
[M-H]-	422.16090	207.3
[M+NH4]+	441.20200	209.6
[M+K]+	462.13134	201.5
[M+H-H2O]+	406.16544	190.8
[M+HCOO]-	468.16638	218.2
[M+CH3COO]-	482.18203	225.6
[M+Na-2H]-	444.14285	195.6
[M]+	423.16763	204.0
[M]-	423.16873	204.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

424.17546

200.1

[M+Na]+

446.15740

206.3

[M-H]-

422.16090

207.3

[M+NH4]+

441.20200

209.6

[M+K]+

462.13134

201.5

[M+H-H2O]+

406.16544

190.8

[M+HCOO]-

468.16638

218.2

[M+CH3COO]-

482.18203

225.6

[M+Na-2H]-

444.14285

195.6

[M]+

423.16763

204.0

[M]-

423.16873

204.0

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

618077-39-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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