CID 206386

6-chloro-2-(3,5-dinitrophenyl)-4-phenylquinazoline

Structural Information

Molecular Formula
C20H11ClN4O4
SMILES
C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C20H11ClN4O4/c21-14-6-7-18-17(10-14)19(12-4-2-1-3-5-12)23-20(22-18)13-8-15(24(26)27)11-16(9-13)25(28)29/h1-11H
InChIKey
UVBJLTARLGTZGY-UHFFFAOYSA-N
Compound name
6-chloro-2-(3,5-dinitrophenyl)-4-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.04688 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.05416 194.2
[M+Na]+ 429.03610 199.4
[M-H]- 405.03960 201.4
[M+NH4]+ 424.08070 200.6
[M+K]+ 445.01004 185.2
[M+H-H2O]+ 389.04414 191.2
[M+HCOO]- 451.04508 210.3
[M+CH3COO]- 465.06073 212.4
[M+Na-2H]- 427.02155 202.9
[M]+ 406.04633 193.1
[M]- 406.04743 193.1
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.