PubChemLite - 380876-63-1 (C24H25FN2O4)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CC=C4F)/O

InChI

InChI=1S/C24H25FN2O4/c1-16-6-8-17(9-7-16)22(28)20-21(18-4-2-3-5-19(18)25)27(24(30)23(20)29)11-10-26-12-14-31-15-13-26/h2-9,21,28H,10-15H2,1H3/b22-20+

InChIKey

YMCYWHPPAXCIMT-LSDHQDQOSA-N

Compound name

(4E)-5-(2-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-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]+	425.18712	203.7
[M+Na]+	447.16906	208.5
[M-H]-	423.17256	211.1
[M+NH4]+	442.21366	209.8
[M+K]+	463.14300	202.9
[M+H-H2O]+	407.17710	192.0
[M+HCOO]-	469.17804	214.8
[M+CH3COO]-	483.19369	225.0
[M+Na-2H]-	445.15451	197.4
[M]+	424.17929	198.6
[M]-	424.18039	198.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.18712

203.7

[M+Na]+

447.16906

208.5

[M-H]-

423.17256

211.1

[M+NH4]+

442.21366

209.8

[M+K]+

463.14300

202.9

[M+H-H2O]+

407.17710

192.0

[M+HCOO]-

469.17804

214.8

[M+CH3COO]-

483.19369

225.0

[M+Na-2H]-

445.15451

197.4

[M]+

424.17929

198.6

[M]-

424.18039

198.6

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

380876-63-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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