CID 501278

Schembl5356239

Structural Information

Molecular Formula

C₁₅H₁₂Cl₂N₄

SMILES

C1=CC2=C(C=C1CC3=CC(=C(C=C3)Cl)Cl)C(=NC(=N2)N)N

InChI

InChI=1S/C15H12Cl2N4/c16-11-3-1-9(7-12(11)17)5-8-2-4-13-10(6-8)14(18)21-15(19)20-13/h1-4,6-7H,5H2,(H4,18,19,20,21)

InChIKey

ZJXYNAVKPZKIQH-UHFFFAOYSA-N

Compound name

6-[(3,4-dichlorophenyl)methyl]quinazoline-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 318.0439 Da
Monoisotopic Mass: 4.0
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]+	319.05118	171.6
[M+Na]+	341.03312	183.3
[M-H]-	317.03662	175.4
[M+NH4]+	336.07772	185.3
[M+K]+	357.00706	174.8
[M+H-H2O]+	301.04116	163.6
[M+HCOO]-	363.04210	183.7
[M+CH3COO]-	377.05775	182.3
[M+Na-2H]-	339.01857	176.2
[M]+	318.04335	173.1
[M]-	318.04445	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe