CID 13383652

2-(3',4'-dimethoxystyryl)-4-(delta-diethylamino-alpha-methylbutylamino)quinazoline 2hcl

Structural Information

Molecular Formula
C27H36N4O2
SMILES
CCN(CC)CCCC(C)NC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C27H36N4O2/c1-6-31(7-2)18-10-11-20(3)28-27-22-12-8-9-13-23(22)29-26(30-27)17-15-21-14-16-24(32-4)25(19-21)33-5/h8-9,12-17,19-20H,6-7,10-11,18H2,1-5H3,(H,28,29,30)/b17-15+
InChIKey
ARBYIVVHMRGZLQ-BMRADRMJSA-N
Compound name
4-N-[2-[(E)-2-(3,4-dimethoxyphenyl)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

448.2838 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.29108 216.1
[M+Na]+ 471.27302 228.6
[M+NH4]+ 466.31762 221.6
[M+K]+ 487.24696 219.6
[M-H]- 447.27652 220.7
[M+Na-2H]- 469.25847 222.1
[M]+ 448.28325 219.1
[M]- 448.28435 219.1
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.