CID 5273370

824431-12-1

Structural Information

Molecular Formula

C₁₅H₁₁Cl₂N₃

SMILES

CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C15H11Cl2N3/c1-9-2-5-14-11(6-9)15(19-8-18-14)20-10-3-4-12(16)13(17)7-10/h2-8H,1H3,(H,18,19,20)

InChIKey

ANWHPGDPFVPDRT-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)-6-methylquinazolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 303.033 Da
Monoisotopic Mass: 5.0
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]+	304.04028	165.7
[M+Na]+	326.02222	177.2
[M-H]-	302.02572	170.0
[M+NH4]+	321.06682	180.4
[M+K]+	341.99616	169.2
[M+H-H2O]+	286.03026	157.2
[M+HCOO]-	348.03120	177.8
[M+CH3COO]-	362.04685	177.0
[M+Na-2H]-	324.00767	172.5
[M]+	303.03245	169.1
[M]-	303.03355	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe