PubChemLite - Sri-3072 (C32H40N6O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CC(C)CC(C)NC1=CC(=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC

InChI

InChI=1S/C32H40N6O2/c1-6-38(7-2)21-22(4)19-23(5)33-26-20-27(35-32(39)40-8-3)34-31-30(26)36-28(24-15-11-9-12-16-24)29(37-31)25-17-13-10-14-18-25/h9-18,20,22-23H,6-8,19,21H2,1-5H3,(H2,33,34,35,37,39)

InChIKey

MKJUVACMILVNTO-UHFFFAOYSA-N

Compound name

ethyl N-[8-[[5-(diethylamino)-4-methylpentan-2-yl]amino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate

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]+	541.32858	237.1
[M+Na]+	563.31052	237.9
[M-H]-	539.31402	243.3
[M+NH4]+	558.35512	237.7
[M+K]+	579.28446	232.6
[M+H-H2O]+	523.31856	222.5
[M+HCOO]-	585.31950	252.8
[M+CH3COO]-	599.33515	263.7
[M+Na-2H]-	561.29597	237.2
[M]+	540.32075	240.3
[M]-	540.32185	240.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.32858

237.1

[M+Na]+

563.31052

237.9

[M-H]-

539.31402

243.3

[M+NH4]+

558.35512

237.7

[M+K]+

579.28446

232.6

[M+H-H2O]+

523.31856

222.5

[M+HCOO]-

585.31950

252.8

[M+CH3COO]-

599.33515

263.7

[M+Na-2H]-

561.29597

237.2

[M]+

540.32075

240.3

[M]-

540.32185

240.3

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

Sri-3072

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe