CID 63626

Brn 4608335

Structural Information

Molecular Formula
C27H16Cl2N4O3
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+](=O)[O-])Cl
InChI
InChI=1S/C27H16Cl2N4O3/c28-19-9-5-17(6-10-19)16-30-20-11-7-18(8-12-20)26-31-24-4-2-1-3-22(24)27(34)32(26)25-14-13-21(33(35)36)15-23(25)29/h1-16H
InChIKey
OOTATMFQORDRAH-UHFFFAOYSA-N
Compound name
3-(2-chloro-4-nitrophenyl)-2-[4-[(4-chlorophenyl)methylideneamino]phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.05994 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.06722 221.5
[M+Na]+ 537.04916 243.4
[M+NH4]+ 532.09376 229.3
[M+K]+ 553.02310 233.0
[M-H]- 513.05266 232.4
[M+Na-2H]- 535.03461 234.0
[M]+ 514.05939 228.6
[M]- 514.06049 228.6
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.