CID 64012

Brn 5353333

Structural Information

Molecular Formula
C18H12ClN3O2
SMILES
CC1=NOC(=C1)N2C(=NC3=C(C2=O)C=C(C=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)20-15-8-7-13(19)10-14(15)18(22)23/h2-10H,1H3
InChIKey
BSRWXZSURLIMPX-UHFFFAOYSA-N
Compound name
6-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 177.6
[M+Na]+ 360.05102 191.5
[M-H]- 336.05452 186.3
[M+NH4]+ 355.09562 189.6
[M+K]+ 376.02496 184.8
[M+H-H2O]+ 320.05906 167.1
[M+HCOO]- 382.06000 194.3
[M+CH3COO]- 396.07565 189.9
[M+Na-2H]- 358.03647 182.5
[M]+ 337.06125 184.4
[M]- 337.06235 184.4
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.