CID 6435980

4(3h)-quinazolinone, 6,8-dibromo-2-(o-fluorostyryl)-3-(p-nitroanilino)-

Structural Information

Molecular Formula
C22H13Br2FN4O3
SMILES
C1=CC=C(C(=C1)/C=C/C2=NC3=C(C=C(C=C3Br)Br)C(=O)N2NC4=CC=C(C=C4)[N+](=O)[O-])F
InChI
InChI=1S/C22H13Br2FN4O3/c23-14-11-17-21(18(24)12-14)26-20(10-5-13-3-1-2-4-19(13)25)28(22(17)30)27-15-6-8-16(9-7-15)29(31)32/h1-12,27H/b10-5+
InChIKey
OXNCGWLPZFEOJA-BJMVGYQFSA-N
Compound name
6,8-dibromo-2-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-nitroanilino)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.93384 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.94112 205.2
[M+Na]+ 580.92306 202.0
[M+NH4]+ 575.96766 205.4
[M+K]+ 596.89700 207.2
[M-H]- 556.92656 207.9
[M+Na-2H]- 578.90851 206.1
[M]+ 557.93329 204.5
[M]- 557.93439 204.5
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

No patent data available for this compound.