CID 63459

Brn 0853938

Structural Information

Molecular Formula
C22H15Cl2N3O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)N=CC4=C(C(=CC(=C4)Cl)Cl)O
InChI
InChI=1S/C22H15Cl2N3O2/c1-13-26-20-5-3-2-4-18(20)22(29)27(13)17-8-6-16(7-9-17)25-12-14-10-15(23)11-19(24)21(14)28/h2-12,28H,1H3
InChIKey
GQOWPCYZIRAATN-UHFFFAOYSA-N
Compound name
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

423.05414 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.06142 199.3
[M+Na]+ 446.04336 211.7
[M-H]- 422.04686 207.1
[M+NH4]+ 441.08796 209.0
[M+K]+ 462.01730 202.6
[M+H-H2O]+ 406.05140 188.5
[M+HCOO]- 468.05234 210.8
[M+CH3COO]- 482.06799 209.0
[M+Na-2H]- 444.02881 202.4
[M]+ 423.05359 205.2
[M]- 423.05469 205.2
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.