CID 3021265

Cm 40468

Structural Information

Molecular Formula
C19H18ClFN4
SMILES
CN1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4F
InChI
InChI=1S/C19H18ClFN4/c1-24-8-10-25(11-9-24)19-22-17-7-6-13(20)12-15(17)18(23-19)14-4-2-3-5-16(14)21/h2-7,12H,8-11H2,1H3
InChIKey
ZXDCAYCNHVSXNY-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1204 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12768 185.7
[M+Na]+ 379.10962 203.2
[M+NH4]+ 374.15422 193.7
[M+K]+ 395.08356 193.0
[M-H]- 355.11312 190.3
[M+Na-2H]- 377.09507 194.7
[M]+ 356.11985 189.9
[M]- 356.12095 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.