CID 3804577

618443-53-1

Structural Information

Molecular Formula
C19H12Cl2N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2CN3C=NC4=C(C3=O)C=C(C=C4Cl)Cl
InChI
InChI=1S/C19H12Cl2N2O/c20-14-8-16-18(17(21)9-14)22-11-23(19(16)24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2
InChIKey
ZFYQRAIRUCGBTP-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-(naphthalen-1-ylmethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.03265 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.039926 178.2
[M+Na]+ 377.021868 191.9
[M-H]- 353.025374 183.7
[M+NH4]+ 372.066473 192.0
[M+K]+ 392.995808 182.8
[M+H-H2O]+ 337.029910 168.5
[M+HCOO]- 399.030851 189.2
[M+CH3COO]- 413.046501 189.4
[M+Na-2H]- 375.007316 185.3
[M]+ 354.03210142 184.7
[M]- 354.03319858 184.7
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.