PubChemLite - 99599-74-3 (C21H28FN3O4)

Structural Information

Molecular Formula

SMILES

CC1(CC2(C3=C(O1)C=CC(=C3)F)C(=O)N(C(=O)N2)CCCN4CCC(CC4)O)C

InChI

InChI=1S/C21H28FN3O4/c1-20(2)13-21(16-12-14(22)4-5-17(16)29-20)18(27)25(19(28)23-21)9-3-8-24-10-6-15(26)7-11-24/h4-5,12,15,26H,3,6-11,13H2,1-2H3,(H,23,28)

InChIKey

PJHXQSZJHGJZCC-UHFFFAOYSA-N

Compound name

6-fluoro-3'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-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]+	406.21368	200.7
[M+Na]+	428.19562	209.5
[M+NH4]+	423.24022	207.7
[M+K]+	444.16956	202.4
[M-H]-	404.19912	201.6
[M+Na-2H]-	426.18107	202.7
[M]+	405.20585	202.1
[M]-	405.20695	202.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.21368

200.7

[M+Na]+

428.19562

209.5

[M+NH4]+

423.24022

207.7

[M+K]+

444.16956

202.4

[M-H]-

404.19912

201.6

[M+Na-2H]-

426.18107

202.7

[M]+

405.20585

202.1

[M]-

405.20695

202.1

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

99599-74-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe