CID 6066923

Brn 0731238

Structural Information

Molecular Formula
C25H28Cl4N4
SMILES
CCN(CC)CCCC(C)NC1=NC(=NC2=C1C=CC(=C2)Cl)/C=C/C3=C(C=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C25H28Cl4N4/c1-4-33(5-2)12-6-7-16(3)30-25-20-9-8-17(26)15-23(20)31-24(32-25)11-10-19-21(28)13-18(27)14-22(19)29/h8-11,13-16H,4-7,12H2,1-3H3,(H,30,31,32)/b11-10+
InChIKey
ZDUYNZXUTJDJHX-ZHACJKMWSA-N
Compound name
4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

524.1068 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.11408 226.2
[M+Na]+ 547.09602 241.8
[M+NH4]+ 542.14062 233.0
[M+K]+ 563.06996 229.8
[M-H]- 523.09952 230.5
[M+Na-2H]- 545.08147 231.6
[M]+ 524.10625 230.9
[M]- 524.10735 230.9
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.