PubChemLite - Schembl7316821 (C23H30N4O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC2=C1CN3C(=C)C(=O)NC3=N2)OCCCC(=O)N(C4CCCC4)C(C)O

InChI

InChI=1S/C23H30N4O4/c1-14-11-18(12-20-19(14)13-26-15(2)22(30)25-23(26)24-20)31-10-6-9-21(29)27(16(3)28)17-7-4-5-8-17/h11-12,16-17,28H,2,4-10,13H2,1,3H3,(H,24,25,30)

InChIKey

HCLKAADCBCKRKR-UHFFFAOYSA-N

Compound name

N-cyclopentyl-N-(1-hydroxyethyl)-4-[(6-methyl-3-methylidene-2-oxo-1,5-dihydroimidazo[2,1-b]quinazolin-8-yl)oxy]butanamide

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]+	427.23398	202.9
[M+Na]+	449.21592	207.8
[M-H]-	425.21942	206.4
[M+NH4]+	444.26052	213.1
[M+K]+	465.18986	203.1
[M+H-H2O]+	409.22396	194.2
[M+HCOO]-	471.22490	216.0
[M+CH3COO]-	485.24055	229.8
[M+Na-2H]-	447.20137	198.5
[M]+	426.22615	204.1
[M]-	426.22725	204.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.23398

202.9

[M+Na]+

449.21592

207.8

[M-H]-

425.21942

206.4

[M+NH4]+

444.26052

213.1

[M+K]+

465.18986

203.1

[M+H-H2O]+

409.22396

194.2

[M+HCOO]-

471.22490

216.0

[M+CH3COO]-

485.24055

229.8

[M+Na-2H]-

447.20137

198.5

[M]+

426.22615

204.1

[M]-

426.22725

204.1

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

Schembl7316821

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe