PubChemLite - 442551-14-6 (C28H32N2O6)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)OC)O)OCC=C

InChI

InChI=1S/C28H32N2O6/c1-4-15-36-23-10-7-21(18-19(23)2)26(31)24-25(20-5-8-22(34-3)9-6-20)30(28(33)27(24)32)12-11-29-13-16-35-17-14-29/h4-10,18,25,31H,1,11-17H2,2-3H3

InChIKey

OULAZZVUMLBIGI-UHFFFAOYSA-N

Compound name

4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)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]+	493.23332	221.2
[M+Na]+	515.21526	224.6
[M-H]-	491.21876	229.7
[M+NH4]+	510.25986	224.4
[M+K]+	531.18920	219.9
[M+H-H2O]+	475.22330	209.8
[M+HCOO]-	537.22424	232.4
[M+CH3COO]-	551.23989	239.4
[M+Na-2H]-	513.20071	213.5
[M]+	492.22549	220.8
[M]-	492.22659	220.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.23332

221.2

[M+Na]+

515.21526

224.6

[M-H]-

491.21876

229.7

[M+NH4]+

510.25986

224.4

[M+K]+

531.18920

219.9

[M+H-H2O]+

475.22330

209.8

[M+HCOO]-

537.22424

232.4

[M+CH3COO]-

551.23989

239.4

[M+Na-2H]-

513.20071

213.5

[M]+

492.22549

220.8

[M]-

492.22659

220.8

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

442551-14-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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