CID 3018899

N,n-dimethyl-4-(4-phenoxyquinazolin-2-yl)aniline

Structural Information

Molecular Formula
C22H19N3O
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=CC=C4
InChI
InChI=1S/C22H19N3O/c1-25(2)17-14-12-16(13-15-17)21-23-20-11-7-6-10-19(20)22(24-21)26-18-8-4-3-5-9-18/h3-15H,1-2H3
InChIKey
FUZVMZFXKNHVJY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(4-phenoxyquinazolin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

341.1528 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.160076 183.0
[M+Na]+ 364.142018 190.4
[M-H]- 340.145524 191.9
[M+NH4]+ 359.186623 194.1
[M+K]+ 380.115958 184.6
[M+H-H2O]+ 324.150060 170.7
[M+HCOO]- 386.151001 204.2
[M+CH3COO]- 400.166651 193.3
[M+Na-2H]- 362.127466 189.9
[M]+ 341.15225142 184.5
[M]- 341.15334858 184.5
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

patents stripe