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 186.8
[M+Na]+ 379.10962 196.0
[M-H]- 355.11312 189.6
[M+NH4]+ 374.15422 195.4
[M+K]+ 395.08356 186.9
[M+H-H2O]+ 339.11766 172.9
[M+HCOO]- 401.11860 194.4
[M+CH3COO]- 415.13425 194.7
[M+Na-2H]- 377.09507 189.2
[M]+ 356.11985 184.0
[M]- 356.12095 184.0
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.