CID 6446128

4-quinazolinamine, 2-(2-(2-chlorophenyl)ethenyl)-n,n-diethyl-6-methoxy-

Structural Information

Molecular Formula
C21H22ClN3O
SMILES
CCN(CC)C1=NC(=NC2=C1C=C(C=C2)OC)/C=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C21H22ClN3O/c1-4-25(5-2)21-17-14-16(26-3)11-12-19(17)23-20(24-21)13-10-15-8-6-7-9-18(15)22/h6-14H,4-5H2,1-3H3/b13-10+
InChIKey
BGYUONPMCOIZSI-JLHYYAGUSA-N
Compound name
2-[(E)-2-(2-chlorophenyl)ethenyl]-N,N-diethyl-6-methoxyquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14514 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.152416 189.9
[M+Na]+ 390.134358 198.7
[M-H]- 366.137864 195.6
[M+NH4]+ 385.178963 202.0
[M+K]+ 406.108298 191.7
[M+H-H2O]+ 350.142400 179.3
[M+HCOO]- 412.143341 206.0
[M+CH3COO]- 426.158991 222.8
[M+Na-2H]- 388.119806 193.5
[M]+ 367.14459142 195.8
[M]- 367.14568858 195.8
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.