CID 135570464

Brn 0805832

Structural Information

Molecular Formula

C₁₃H₁₅ClN₄O

SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2

InChI

InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13-15-11-3-2-9(14)8-10(11)12(19)16-13/h2-3,8H,4-7H2,1H3,(H,15,16,19)

InChIKey

BNASSGFQLMOZKG-UHFFFAOYSA-N

Compound name

6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 278.09344 Da
Monoisotopic Mass: 1.1
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]+	279.10072	164.2
[M+Na]+	301.08266	173.7
[M-H]-	277.08616	164.5
[M+NH4]+	296.12726	175.9
[M+K]+	317.05660	166.5
[M+H-H2O]+	261.09070	154.1
[M+HCOO]-	323.09164	172.8
[M+CH3COO]-	337.10729	173.7
[M+Na-2H]-	299.06811	168.6
[M]+	278.09289	161.7
[M]-	278.09399	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe