CID 63918

Brn 4596732

Structural Information

Molecular Formula
C27H16Cl3N3O
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C27H16Cl3N3O/c28-19-9-5-17(6-10-19)16-31-21-12-7-18(8-13-21)26-32-24-4-2-1-3-22(24)27(34)33(26)25-14-11-20(29)15-23(25)30/h1-16H
InChIKey
IHOSILKHPNWDOI-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methylideneamino]phenyl]-3-(2,4-dichlorophenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.0359 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.04318 221.8
[M+Na]+ 526.02512 244.6
[M+NH4]+ 521.06972 230.7
[M+K]+ 541.99906 230.0
[M-H]- 502.02862 231.7
[M+Na-2H]- 524.01057 234.6
[M]+ 503.03535 229.3
[M]- 503.03645 229.3
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.