CID 63334

Brn 5344653

Structural Information

Molecular Formula
C12H8ClN3O2
SMILES
CC1=NOC(=C1)N2C=NC3=C(C2=O)C=CC(=C3)Cl
InChI
InChI=1S/C12H8ClN3O2/c1-7-4-11(18-15-7)16-6-14-10-5-8(13)2-3-9(10)12(16)17/h2-6H,1H3
InChIKey
MEOJIIAGPAAPPQ-UHFFFAOYSA-N
Compound name
7-chloro-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.03052 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03780 153.8
[M+Na]+ 284.01974 168.3
[M-H]- 260.02324 159.5
[M+NH4]+ 279.06434 169.3
[M+K]+ 299.99368 163.4
[M+H-H2O]+ 244.02778 145.3
[M+HCOO]- 306.02872 171.5
[M+CH3COO]- 320.04437 167.7
[M+Na-2H]- 282.00519 160.8
[M]+ 261.02997 160.8
[M]- 261.03107 160.8
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.