CID 63194

Brn 5350081

Structural Information

Molecular Formula
C14H12ClN3O2
SMILES
CCC1=NC2=C(C=C(C=C2)Cl)C(=O)N1C3=CC(=NO3)C
InChI
InChI=1S/C14H12ClN3O2/c1-3-12-16-11-5-4-9(15)7-10(11)14(19)18(12)13-6-8(2)17-20-13/h4-7H,3H2,1-2H3
InChIKey
KRLKLFBKSMWWEG-UHFFFAOYSA-N
Compound name
6-chloro-2-ethyl-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

289.0618 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06908 162.3
[M+Na]+ 312.05102 180.7
[M+NH4]+ 307.09562 170.2
[M+K]+ 328.02496 174.5
[M-H]- 288.05452 166.8
[M+Na-2H]- 310.03647 170.2
[M]+ 289.06125 166.7
[M]- 289.06235 166.7
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.