CID 6447388

Brn 5318467

Structural Information

Molecular Formula
C25H29Cl3N4
SMILES
CCN(CC)CCCC(C)NC1=NC(=NC2=C1C=CC(=C2)Cl)/C=C/C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H29Cl3N4/c1-4-32(5-2)14-6-7-17(3)29-25-21-12-11-20(27)16-23(21)30-24(31-25)13-9-18-8-10-19(26)15-22(18)28/h8-13,15-17H,4-7,14H2,1-3H3,(H,29,30,31)/b13-9+
InChIKey
UCQDDGBKEHEXKP-UKTHLTGXSA-N
Compound name
4-N-[7-chloro-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.14578 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.15306 218.1
[M+Na]+ 513.13500 225.1
[M-H]- 489.13850 221.0
[M+NH4]+ 508.17960 225.8
[M+K]+ 529.10894 216.1
[M+H-H2O]+ 473.14304 208.0
[M+HCOO]- 535.14398 222.2
[M+CH3COO]- 549.15963 246.3
[M+Na-2H]- 511.12045 216.6
[M]+ 490.14523 225.0
[M]- 490.14633 225.0
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.