CID 164157

N-(2-(3-pheoxyphenyl)ethyl)-4-quinazolinamine

Structural Information

Molecular Formula
C22H19N3O
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)CCNC3=NC=NC4=CC=CC=C43
InChI
InChI=1S/C22H19N3O/c1-2-8-18(9-3-1)26-19-10-6-7-17(15-19)13-14-23-22-20-11-4-5-12-21(20)24-16-25-22/h1-12,15-16H,13-14H2,(H,23,24,25)
InChIKey
CMVUZTOUJSFFNK-UHFFFAOYSA-N
Compound name
N-[2-(3-phenoxyphenyl)ethyl]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

341.1528 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.160076 181.1
[M+Na]+ 364.142018 187.6
[M-H]- 340.145524 188.2
[M+NH4]+ 359.186623 191.3
[M+K]+ 380.115958 180.3
[M+H-H2O]+ 324.150060 168.9
[M+HCOO]- 386.151001 201.9
[M+CH3COO]- 400.166651 190.6
[M+Na-2H]- 362.127466 189.7
[M]+ 341.15225142 181.0
[M]- 341.15334858 181.0
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