CID 63455

Brn 0859452

Structural Information

Molecular Formula
C22H14BrCl2N3O2
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)N=CC4=C(C(=CC(=C4)Cl)Cl)O
InChI
InChI=1S/C22H14BrCl2N3O2/c1-12-27-20-7-2-14(23)9-18(20)22(30)28(12)17-5-3-16(4-6-17)26-11-13-8-15(24)10-19(25)21(13)29/h2-11,29H,1H3
InChIKey
NOLLKGIRAJFVIP-UHFFFAOYSA-N
Compound name
6-bromo-3-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.96463 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.97191 206.8
[M+Na]+ 523.95385 216.9
[M+NH4]+ 518.99845 211.1
[M+K]+ 539.92779 211.9
[M-H]- 499.95735 211.7
[M+Na-2H]- 521.93930 212.7
[M]+ 500.96408 209.4
[M]- 500.96518 209.4
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.