PubChemLite - Azd-6605 (C18H21F4N3O6S)

Structural Information

Molecular Formula

SMILES

C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCC(CC2)OC3=CC=C(C=C3)OC(C(F)F)(F)F

InChI

InChI=1S/C18H21F4N3O6S/c1-17(15(26)23-16(27)24-17)10-32(28,29)25-8-6-12(7-9-25)30-11-2-4-13(5-3-11)31-18(21,22)14(19)20/h2-5,12,14H,6-10H2,1H3,(H2,23,24,26,27)/t17-/m1/s1

InChIKey

SBVAXUGOISPYPX-QGZVFWFLSA-N

Compound name

(5S)-5-methyl-5-[[4-[4-(1,1,2,2-tetrafluoroethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]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]+	484.11601	203.7
[M+Na]+	506.09795	205.6
[M+NH4]+	501.14255	203.9
[M+K]+	522.07189	203.3
[M-H]-	482.10145	196.3
[M+Na-2H]-	504.08340	203.4
[M]+	483.10818	201.5
[M]-	483.10928	201.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.11601

203.7

[M+Na]+

506.09795

205.6

[M+NH4]+

501.14255

203.9

[M+K]+

522.07189

203.3

[M-H]-

482.10145

196.3

[M+Na-2H]-

504.08340

203.4

[M]+

483.10818

201.5

[M]-

483.10928

201.5

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

Azd-6605

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe