CID 63920

Brn 4596733

Structural Information

Molecular Formula
C27H18Cl2N4O
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)N)Cl
InChI
InChI=1S/C27H18Cl2N4O/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(30)15-23(25)29/h1-16H,30H2
InChIKey
IKWIPIIHFNFMLG-UHFFFAOYSA-N
Compound name
3-(4-amino-2-chlorophenyl)-2-[4-[(4-chlorophenyl)methylideneamino]phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.08575 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.09303 219.5
[M+Na]+ 507.07497 241.1
[M+NH4]+ 502.11957 228.1
[M+K]+ 523.04891 227.6
[M-H]- 483.07847 230.2
[M+Na-2H]- 505.06042 232.4
[M]+ 484.08520 226.7
[M]- 484.08630 226.7
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.