CID 63694

Brn 5352061

Structural Information

Molecular Formula
C19H15N3O2
SMILES
CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC(=NO3)C)C4=CC=CC=C4
InChI
InChI=1S/C19H15N3O2/c1-12-8-9-16-15(10-12)19(23)22(17-11-13(2)21-24-17)18(20-16)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey
XPUYAYSLKIYNRN-UHFFFAOYSA-N
Compound name
6-methyl-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

317.11642 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.123696 175.1
[M+Na]+ 340.105638 188.1
[M-H]- 316.109144 184.2
[M+NH4]+ 335.150243 187.2
[M+K]+ 356.079578 182.4
[M+H-H2O]+ 300.113680 164.6
[M+HCOO]- 362.114621 196.4
[M+CH3COO]- 376.130271 187.6
[M+Na-2H]- 338.091086 180.2
[M]+ 317.11587142 180.2
[M]- 317.11696858 180.2
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.