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]+ 355.03993 178.2
[M+Na]+ 377.02187 191.9
[M-H]- 353.02537 183.7
[M+NH4]+ 372.06647 192.0
[M+K]+ 392.99581 182.8
[M+H-H2O]+ 337.02991 168.5
[M+HCOO]- 399.03085 189.2
[M+CH3COO]- 413.04650 189.4
[M+Na-2H]- 375.00732 185.3
[M]+ 354.03210 184.7
[M]- 354.03320 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.