1263402-76-1 (C24H21N5O5S)

Structural Information

Molecular Formula

SMILES

CC1=NN=C(O1)C2=CC=C(C=C2)OC3=CC(=CC(=C3)C(=O)NC4=NC=CS4)O[C@H]5CCN(C5=O)C

InChI

InChI=1S/C24H21N5O5S/c1-14-27-28-22(32-14)15-3-5-17(6-4-15)33-18-11-16(21(30)26-24-25-8-10-35-24)12-19(13-18)34-20-7-9-29(2)23(20)31/h3-6,8,10-13,20H,7,9H2,1-2H3,(H,25,26,30)/t20-/m0/s1

InChIKey

AOZKMKQCNOIYGR-FQEVSTJZSA-N

Compound name

3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxy-N-(1,3-thiazol-2-yl)benzamide

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]+	492.13362	210.8
[M+Na]+	514.11556	219.7
[M-H]-	490.11906	225.4
[M+NH4]+	509.16016	216.9
[M+K]+	530.08950	216.5
[M+H-H2O]+	474.12360	202.2
[M+HCOO]-	536.12454	227.6
[M+CH3COO]-	550.14019	220.3
[M+Na-2H]-	512.10101	205.1
[M]+	491.12579	218.6
[M]-	491.12689	218.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.13362

210.8

[M+Na]+

514.11556

219.7

[M-H]-

490.11906

225.4

[M+NH4]+

509.16016

216.9

[M+K]+

530.08950

216.5

[M+H-H2O]+

474.12360

202.2

[M+HCOO]-

536.12454

227.6

[M+CH3COO]-

550.14019

220.3

[M+Na-2H]-

512.10101

205.1

[M]+

491.12579

218.6

[M]-

491.12689

218.6

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

1263402-76-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe