PubChemLite - 371207-37-3 (C24H26FN3O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN3CCNCC3)C4=CC=CC=C4F)/O

InChI

InChI=1S/C24H26FN3O4/c1-32-17-8-6-16(7-9-17)22(29)20-21(18-4-2-3-5-19(18)25)28(24(31)23(20)30)15-14-27-12-10-26-11-13-27/h2-9,21,26,29H,10-15H2,1H3/b22-20+

InChIKey

RKSGQGZYWUZBMR-LSDHQDQOSA-N

Compound name

(4E)-5-(2-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-piperazin-1-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]+	440.19801	206.9
[M+Na]+	462.17995	210.8
[M-H]-	438.18345	211.0
[M+NH4]+	457.22455	211.5
[M+K]+	478.15389	203.4
[M+H-H2O]+	422.18799	194.5
[M+HCOO]-	484.18893	216.0
[M+CH3COO]-	498.20458	225.3
[M+Na-2H]-	460.16540	199.9
[M]+	439.19018	199.9
[M]-	439.19128	199.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.19801

206.9

[M+Na]+

462.17995

210.8

[M-H]-

438.18345

211.0

[M+NH4]+

457.22455

211.5

[M+K]+

478.15389

203.4

[M+H-H2O]+

422.18799

194.5

[M+HCOO]-

484.18893

216.0

[M+CH3COO]-

498.20458

225.3

[M+Na-2H]-

460.16540

199.9

[M]+

439.19018

199.9

[M]-

439.19128

199.9

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

371207-37-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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