PubChemLite - 618073-17-9 (C29H37FN2O5)

Structural Information

Molecular Formula

SMILES

CCCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)F)\O)/C(=O)C(=O)N2CCN(CC)CC

InChI

InChI=1S/C29H37FN2O5/c1-5-8-9-18-37-22-13-10-20(11-14-22)26-25(27(33)21-12-15-24(36-4)23(30)19-21)28(34)29(35)32(26)17-16-31(6-2)7-3/h10-15,19,26,33H,5-9,16-18H2,1-4H3/b27-25+

InChIKey

BIPNFQYATIQWER-IMVLJIQESA-N

Compound name

(4E)-1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)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]+	513.27598	227.3
[M+Na]+	535.25792	231.1
[M-H]-	511.26142	233.8
[M+NH4]+	530.30252	233.7
[M+K]+	551.23186	226.3
[M+H-H2O]+	495.26596	216.0
[M+HCOO]-	557.26690	243.7
[M+CH3COO]-	571.28255	250.8
[M+Na-2H]-	533.24337	218.7
[M]+	512.26815	232.0
[M]-	512.26925	232.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.27598

227.3

[M+Na]+

535.25792

231.1

[M-H]-

511.26142

233.8

[M+NH4]+

530.30252

233.7

[M+K]+

551.23186

226.3

[M+H-H2O]+

495.26596

216.0

[M+HCOO]-

557.26690

243.7

[M+CH3COO]-

571.28255

250.8

[M+Na-2H]-

533.24337

218.7

[M]+

512.26815

232.0

[M]-

512.26925

232.0

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

618073-17-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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