CID 473634

Ads-j14

Structural Information

Molecular Formula

C₂₃H₂₀ClN₃O

SMILES

CC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)NC4=CC=CC=C4Cl

InChI

InChI=1S/C23H20ClN3O/c1-16(25-21-14-8-6-12-19(21)24)22-26-20-13-7-5-11-18(20)23(28)27(22)15-17-9-3-2-4-10-17/h2-14,16,25H,15H2,1H3

InChIKey

DXLNIBSZKPJRKJ-UHFFFAOYSA-N

Compound name

3-benzyl-2-[1-(2-chloroanilino)ethyl]quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 389.1295 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

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]+	390.13678	193.5
[M+Na]+	412.11872	202.0
[M-H]-	388.12222	200.9
[M+NH4]+	407.16332	203.1
[M+K]+	428.09266	193.3
[M+H-H2O]+	372.12676	181.9
[M+HCOO]-	434.12770	208.4
[M+CH3COO]-	448.14335	202.6
[M+Na-2H]-	410.10417	198.1
[M]+	389.12895	195.8
[M]-	389.13005	195.8

Literature stripe

literature stripe

Patent stripe

patents stripe