CID 206384

Quinazoline, 6-chloro-2-(3-(4-nitrophenoxy)phenyl)-4-phenyl-

Structural Information

Molecular Formula
C26H16ClN3O3
SMILES
C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC(=CC=C4)OC5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C26H16ClN3O3/c27-19-9-14-24-23(16-19)25(17-5-2-1-3-6-17)29-26(28-24)18-7-4-8-22(15-18)33-21-12-10-20(11-13-21)30(31)32/h1-16H
InChIKey
SZRKXFLEHJHBBK-UHFFFAOYSA-N
Compound name
6-chloro-2-[3-(4-nitrophenoxy)phenyl]-4-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.088 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.09528 209.9
[M+Na]+ 476.07722 216.2
[M-H]- 452.08072 219.7
[M+NH4]+ 471.12182 214.9
[M+K]+ 492.05116 204.2
[M+H-H2O]+ 436.08526 200.1
[M+HCOO]- 498.08620 224.7
[M+CH3COO]- 512.10185 226.1
[M+Na-2H]- 474.06267 216.1
[M]+ 453.08745 210.8
[M]- 453.08855 210.8
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.