CID 63193

Brn 5353270

Structural Information

Molecular Formula
C18H12ClN3O2
SMILES
CC1=NOC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C18H12ClN3O2/c1-11-9-16(24-21-11)22-17(12-5-3-2-4-6-12)20-15-10-13(19)7-8-14(15)18(22)23/h2-10H,1H3
InChIKey
SDVVRTTUCCDFPY-UHFFFAOYSA-N
Compound name
7-chloro-3-(3-methyl-1,2-oxazol-5-yl)-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0618 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06908 175.7
[M+Na]+ 360.05102 196.2
[M+NH4]+ 355.09562 184.1
[M+K]+ 376.02496 188.6
[M-H]- 336.05452 183.0
[M+Na-2H]- 358.03647 186.5
[M]+ 337.06125 181.4
[M]- 337.06235 181.4
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.