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 203.6
[M+Na]+ 523.95385 218.7
[M-H]- 499.95735 213.7
[M+NH4]+ 518.99845 214.5
[M+K]+ 539.92779 203.0
[M+H-H2O]+ 483.96189 199.9
[M+HCOO]- 545.96283 213.0
[M+CH3COO]- 559.97848 214.8
[M+Na-2H]- 521.93930 207.1
[M]+ 500.96408 227.6
[M]- 500.96518 227.6
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.