CID 5890197

69258-56-6

Structural Information

Molecular Formula
C25H29Br2ClN4
SMILES
CCN(CC)CCCC(C)NC1=NC(=NC2=C1C=CC(=C2)Cl)/C=C/C3=C(C=C(C=C3)Br)Br
InChI
InChI=1S/C25H29Br2ClN4/c1-4-32(5-2)14-6-7-17(3)29-25-21-12-11-20(28)16-23(21)30-24(31-25)13-9-18-8-10-19(26)15-22(18)27/h8-13,15-17H,4-7,14H2,1-3H3,(H,29,30,31)/b13-9+
InChIKey
TVHDODZRGVWAPS-UKTHLTGXSA-N
Compound name
4-N-[7-chloro-2-[(E)-2-(2,4-dibromophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

578.04474 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.05202 205.7
[M+Na]+ 601.03396 201.6
[M+NH4]+ 596.07856 206.6
[M+K]+ 617.00790 204.8
[M-H]- 577.03746 208.1
[M+Na-2H]- 599.01941 206.1
[M]+ 578.04419 205.0
[M]- 578.04529 205.0
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

patents stripe