CID 63335

Brn 5345203

Structural Information

Molecular Formula
C12H8ClN3O2
SMILES
CC1=NOC(=C1)N2C=NC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C12H8ClN3O2/c1-7-4-11(18-15-7)16-6-14-10-3-2-8(13)5-9(10)12(16)17/h2-6H,1H3
InChIKey
PXNBZIOAOHXQIM-UHFFFAOYSA-N
Compound name
6-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]+ 262.037796 153.8
[M+Na]+ 284.019738 168.3
[M-H]- 260.023244 159.5
[M+NH4]+ 279.064343 169.3
[M+K]+ 299.993678 163.4
[M+H-H2O]+ 244.027780 145.3
[M+HCOO]- 306.028721 171.5
[M+CH3COO]- 320.044371 167.7
[M+Na-2H]- 282.005186 160.8
[M]+ 261.02997142 160.8
[M]- 261.03106858 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.