CID 3021264

Cm 40460

Structural Information

Molecular Formula
C19H18Cl2N4
SMILES
CN1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4Cl
InChI
InChI=1S/C19H18Cl2N4/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
FCFCBTKPEHHOMP-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.09085 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09813 188.0
[M+Na]+ 395.08007 197.3
[M-H]- 371.08357 191.1
[M+NH4]+ 390.12467 196.5
[M+K]+ 411.05401 188.3
[M+H-H2O]+ 355.08811 175.1
[M+HCOO]- 417.08905 191.5
[M+CH3COO]- 431.10470 195.7
[M+Na-2H]- 393.06552 190.2
[M]+ 372.09030 187.4
[M]- 372.09140 187.4
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.