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]+ 449.291076 216.8
[M+Na]+ 471.273018 220.5
[M-H]- 447.276524 221.6
[M+NH4]+ 466.317623 223.9
[M+K]+ 487.246958 215.2
[M+H-H2O]+ 431.281060 204.3
[M+HCOO]- 493.282001 235.5
[M+CH3COO]- 507.297651 244.8
[M+Na-2H]- 469.258466 217.4
[M]+ 448.28325142 222.5
[M]- 448.28434858 222.5
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.