CID 5273369

Ax7376

Structural Information

Molecular Formula

C₁₄H₉Cl₂N₃

SMILES

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C14H9Cl2N3/c15-11-6-5-9(7-12(11)16)19-14-10-3-1-2-4-13(10)17-8-18-14/h1-8H,(H,17,18,19)

InChIKey

MJLHCIPKZYYLFL-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)quinazolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 289.01736 Da
Monoisotopic Mass: 5.2
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]+	290.02464	160.4
[M+Na]+	312.00658	171.4
[M-H]-	288.01008	164.5
[M+NH4]+	307.05118	175.3
[M+K]+	327.98052	163.6
[M+H-H2O]+	272.01462	151.9
[M+HCOO]-	334.01556	172.9
[M+CH3COO]-	348.03121	171.8
[M+Na-2H]-	309.99203	168.5
[M]+	289.01681	163.0
[M]-	289.01791	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe