PubChemLite - 618076-11-2 (C24H17Cl2FN2O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C=C4)Cl)Cl)/O)F

InChI

InChI=1S/C24H17Cl2FN2O3/c1-13-4-5-16(10-19(13)27)22(30)20-21(15-6-7-17(25)18(26)9-15)29(24(32)23(20)31)12-14-3-2-8-28-11-14/h2-11,21,30H,12H2,1H3/b22-20+

InChIKey

RNGZBVHGIHWGBN-LSDHQDQOSA-N

Compound name

(4E)-5-(3,4-dichlorophenyl)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)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]+	471.06731	209.0
[M+Na]+	493.04925	219.5
[M-H]-	469.05275	216.6
[M+NH4]+	488.09385	216.9
[M+K]+	509.02319	209.9
[M+H-H2O]+	453.05729	198.2
[M+HCOO]-	515.05823	215.4
[M+CH3COO]-	529.07388	217.1
[M+Na-2H]-	491.03470	202.6
[M]+	470.05948	210.9
[M]-	470.06058	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.06731

209.0

[M+Na]+

493.04925

219.5

[M-H]-

469.05275

216.6

[M+NH4]+

488.09385

216.9

[M+K]+

509.02319

209.9

[M+H-H2O]+

453.05729

198.2

[M+HCOO]-

515.05823

215.4

[M+CH3COO]-

529.07388

217.1

[M+Na-2H]-

491.03470

202.6

[M]+

470.05948

210.9

[M]-

470.06058

210.9

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

618076-11-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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