CID 64015

Brn 5352053

Structural Information

Molecular Formula
C19H15N3O2
SMILES
CC1=CC2=C(C=C1)C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC(=NO4)C
InChI
InChI=1S/C19H15N3O2/c1-12-8-9-15-16(10-12)20-18(14-6-4-3-5-7-14)22(19(15)23)17-11-13(2)21-24-17/h3-11H,1-2H3
InChIKey
KRBCEEPIMJHBQD-UHFFFAOYSA-N
Compound name
7-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]+ 318.12370 175.1
[M+Na]+ 340.10564 188.1
[M-H]- 316.10914 184.2
[M+NH4]+ 335.15024 187.2
[M+K]+ 356.07958 182.4
[M+H-H2O]+ 300.11368 164.6
[M+HCOO]- 362.11462 196.4
[M+CH3COO]- 376.13027 187.6
[M+Na-2H]- 338.09109 180.2
[M]+ 317.11587 180.2
[M]- 317.11697 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.