CID 3021267

Cm 41125

Structural Information

Molecular Formula

C₁₈H₁₆ClFN₄

SMILES

C1CN(CCN1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4F

InChI

InChI=1S/C18H16ClFN4/c19-12-5-6-16-14(11-12)17(13-3-1-2-4-15(13)20)23-18(22-16)24-9-7-21-8-10-24/h1-6,11,21H,7-10H2

InChIKey

GRLGZUWEZUUYDE-UHFFFAOYSA-N

Compound name

6-chloro-4-(2-fluorophenyl)-2-piperazin-1-ylquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 342.10477 Da
Monoisotopic Mass: 3.7
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]+	343.112046	180.9
[M+Na]+	365.093988	189.3
[M-H]-	341.097494	182.2
[M+NH4]+	360.138593	189.2
[M+K]+	381.067928	179.6
[M+H-H2O]+	325.102030	167.6
[M+HCOO]-	387.102971	187.5
[M+CH3COO]-	401.118621	188.4
[M+Na-2H]-	363.079436	184.4
[M]+	342.10422142	175.8
[M]-	342.10531858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe