CID 6446371

57942-26-4

Structural Information

Molecular Formula
C20H19Cl2N3
SMILES
CCN(CC)C1=NC(=NC2=C1C=CC(=C2)Cl)/C=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H19Cl2N3/c1-3-25(4-2)20-17-11-10-16(22)13-18(17)23-19(24-20)12-7-14-5-8-15(21)9-6-14/h5-13H,3-4H2,1-2H3/b12-7+
InChIKey
LPMLQZZDOXVROR-KPKJPENVSA-N
Compound name
7-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0956 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10288 187.7
[M+Na]+ 394.08482 197.4
[M-H]- 370.08832 192.5
[M+NH4]+ 389.12942 200.2
[M+K]+ 410.05876 189.0
[M+H-H2O]+ 354.09286 177.9
[M+HCOO]- 416.09380 198.8
[M+CH3COO]- 430.10945 197.4
[M+Na-2H]- 392.07027 191.0
[M]+ 371.09505 193.2
[M]- 371.09615 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.