PubChemLite - Azd-1656 (C24H26N6O5)

Structural Information

Molecular Formula

SMILES

CC1=CN=C(C=N1)NC(=O)C2=CC(=CC(=C2)O[C@@H](C)COC)OC3=NC=C(N=C3)C(=O)N4CCC4

InChI

InChI=1S/C24H26N6O5/c1-15-10-27-21(12-25-15)29-23(31)17-7-18(34-16(2)14-33-3)9-19(8-17)35-22-13-26-20(11-28-22)24(32)30-5-4-6-30/h7-13,16H,4-6,14H2,1-3H3,(H,27,29,31)/t16-/m0/s1

InChIKey

FJEJHJINOKKDCW-INIZCTEOSA-N

Compound name

3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(5-methylpyrazin-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]+	479.20375	216.4
[M+Na]+	501.18569	218.5
[M-H]-	477.18919	221.0
[M+NH4]+	496.23029	209.2
[M+K]+	517.15963	218.2
[M+H-H2O]+	461.19373	195.5
[M+HCOO]-	523.19467	228.3
[M+CH3COO]-	537.21032	241.0
[M+Na-2H]-	499.17114	215.7
[M]+	478.19592	227.3
[M]-	478.19702	227.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.20375

216.4

[M+Na]+

501.18569

218.5

[M-H]-

477.18919

221.0

[M+NH4]+

496.23029

209.2

[M+K]+

517.15963

218.2

[M+H-H2O]+

461.19373

195.5

[M+HCOO]-

523.19467

228.3

[M+CH3COO]-

537.21032

241.0

[M+Na-2H]-

499.17114

215.7

[M]+

478.19592

227.3

[M]-

478.19702

227.3

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

Azd-1656

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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