CID 211824

23597-98-0

Structural Information

Molecular Formula

C₁₆H₁₄ClN₃

SMILES

C1CN2C(NC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H14ClN3/c17-12-7-5-11(6-8-12)15-19-14-4-2-1-3-13(14)16-18-9-10-20(15)16/h1-8,15,19H,9-10H2

InChIKey

HSZXGIDMRWNJCF-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-2,3,5,6-tetrahydroimidazo[1,2-c]quinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 283.08762 Da
Monoisotopic Mass: 3.1
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]+	284.094896	164.7
[M+Na]+	306.076838	174.2
[M-H]-	282.080344	167.4
[M+NH4]+	301.121443	180.3
[M+K]+	322.050778	165.9
[M+H-H2O]+	266.084880	155.1
[M+HCOO]-	328.085821	175.5
[M+CH3COO]-	342.101471	175.0
[M+Na-2H]-	304.062286	169.2
[M]+	283.08707142	162.8
[M]-	283.08816858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe