CID 64010

Brn 5350069

Structural Information

Molecular Formula
C14H12ClN3O2
SMILES
CCC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC(=NO3)C
InChI
InChI=1S/C14H12ClN3O2/c1-3-12-16-11-7-9(15)4-5-10(11)14(19)18(12)13-6-8(2)17-20-13/h4-7H,3H2,1-2H3
InChIKey
NJTVXZZJDSMNBU-UHFFFAOYSA-N
Compound name
7-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 163.6
[M+Na]+ 312.05102 178.2
[M-H]- 288.05452 169.4
[M+NH4]+ 307.09562 178.4
[M+K]+ 328.02496 172.8
[M+H-H2O]+ 272.05906 155.0
[M+HCOO]- 334.06000 180.7
[M+CH3COO]- 348.07565 177.0
[M+Na-2H]- 310.03647 168.8
[M]+ 289.06125 171.8
[M]- 289.06235 171.8
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.