CID 63921

Brn 4596797

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=CC(=C(C=C5)Cl)N
InChI
InChI=1S/C27H18Cl2N4O/c28-19-9-5-17(6-10-19)16-31-20-11-7-18(8-12-20)26-32-25-4-2-1-3-22(25)27(34)33(26)21-13-14-23(29)24(30)15-21/h1-16H,30H2
InChIKey
ZMQVEZOKCKKJJT-UHFFFAOYSA-N
Compound name
3-(3-amino-4-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 219.3
[M+Na]+ 507.07497 230.2
[M-H]- 483.07847 229.9
[M+NH4]+ 502.11957 225.7
[M+K]+ 523.04891 219.8
[M+H-H2O]+ 467.08301 205.9
[M+HCOO]- 529.08395 231.5
[M+CH3COO]- 543.09960 227.2
[M+Na-2H]- 505.06042 221.8
[M]+ 484.08520 223.2
[M]- 484.08630 223.2
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.