PubChemLite - Leo 39652 (C23H23N3O5)

Structural Information

Molecular Formula

SMILES

CC(C)COC(=O)C1(CC1)C2=NN3C(=CC=C(C3=N2)OC)C4=CC5=C(C=C4)C(=O)OC5

InChI

InChI=1S/C23H23N3O5/c1-13(2)11-31-22(28)23(8-9-23)21-24-19-18(29-3)7-6-17(26(19)25-21)14-4-5-16-15(10-14)12-30-20(16)27/h4-7,10,13H,8-9,11-12H2,1-3H3

InChIKey

LUUUHUYQTLUIDG-UHFFFAOYSA-N

Compound name

2-methylpropyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate

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]+	422.17104	201.9
[M+Na]+	444.15298	216.7
[M+NH4]+	439.19758	209.6
[M+K]+	460.12692	214.0
[M-H]-	420.15648	212.9
[M+Na-2H]-	442.13843	209.3
[M]+	421.16321	208.5
[M]-	421.16431	208.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.17104

201.9

[M+Na]+

444.15298

216.7

[M+NH4]+

439.19758

209.6

[M+K]+

460.12692

214.0

[M-H]-

420.15648

212.9

[M+Na-2H]-

442.13843

209.3

[M]+

421.16321

208.5

[M]-

421.16431

208.5

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

Leo 39652

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe