PubChemLite - Azd5423 (C25H21F4N3O3)

Structural Information

Molecular Formula

SMILES

C[C@@H]([C@@H](C1=CC(=CC=C1)OC)OC2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)F)NC(=O)C(F)(F)F

InChI

InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1

InChIKey

FCNQMDSJHADDFT-WNSKOXEYSA-N

Compound name

2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide

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]+	488.15920	213.5
[M+Na]+	510.14114	220.7
[M-H]-	486.14464	217.0
[M+NH4]+	505.18574	219.9
[M+K]+	526.11508	214.7
[M+H-H2O]+	470.14918	199.3
[M+HCOO]-	532.15012	227.2
[M+CH3COO]-	546.16577	240.2
[M+Na-2H]-	508.12659	212.6
[M]+	487.15137	213.4
[M]-	487.15247	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.15920

213.5

[M+Na]+

510.14114

220.7

[M-H]-

486.14464

217.0

[M+NH4]+

505.18574

219.9

[M+K]+

526.11508

214.7

[M+H-H2O]+

470.14918

199.3

[M+HCOO]-

532.15012

227.2

[M+CH3COO]-

546.16577

240.2

[M+Na-2H]-

508.12659

212.6

[M]+

487.15137

213.4

[M]-

487.15247

213.4

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

Azd5423

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe