CID 6446128

Brn 0764218

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]+ 368.15242 189.9
[M+Na]+ 390.13436 198.7
[M-H]- 366.13786 195.6
[M+NH4]+ 385.17896 202.0
[M+K]+ 406.10830 191.7
[M+H-H2O]+ 350.14240 179.3
[M+HCOO]- 412.14334 206.0
[M+CH3COO]- 426.15899 222.8
[M+Na-2H]- 388.11981 193.5
[M]+ 367.14459 195.8
[M]- 367.14569 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.