PubChemLite - Schembl10375050 (C25H28N4O5)

Structural Information

Molecular Formula

SMILES

CC(N(CC1=CC=CC=C1)C(=O)CCCOC2=CC3=C(C=C2)N=C4NC(=O)CN4C3)OC(=O)C

InChI

InChI=1S/C25H28N4O5/c1-17(34-18(2)30)29(14-19-7-4-3-5-8-19)24(32)9-6-12-33-21-10-11-22-20(13-21)15-28-16-23(31)27-25(28)26-22/h3-5,7-8,10-11,13,17H,6,9,12,14-16H2,1-2H3,(H,26,27,31)

InChIKey

LZNLAFXEEDBVKY-UHFFFAOYSA-N

Compound name

1-[benzyl-[4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanoyl]amino]ethyl acetate

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]+	465.21324	209.8
[M+Na]+	487.19518	212.1
[M-H]-	463.19868	213.0
[M+NH4]+	482.23978	216.1
[M+K]+	503.16912	208.7
[M+H-H2O]+	447.20322	198.7
[M+HCOO]-	509.20416	222.0
[M+CH3COO]-	523.21981	237.6
[M+Na-2H]-	485.18063	208.4
[M]+	464.20541	212.2
[M]-	464.20651	212.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.21324

209.8

[M+Na]+

487.19518

212.1

[M-H]-

463.19868

213.0

[M+NH4]+

482.23978

216.1

[M+K]+

503.16912

208.7

[M+H-H2O]+

447.20322

198.7

[M+HCOO]-

509.20416

222.0

[M+CH3COO]-

523.21981

237.6

[M+Na-2H]-

485.18063

208.4

[M]+

464.20541

212.2

[M]-

464.20651

212.2

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

Schembl10375050

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe