CID 135580315

Mls001173656

Structural Information

Molecular Formula
C16H11ClN2O
SMILES
C1=CC=C(C(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2)Cl
InChI
InChI=1S/C16H11ClN2O/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(20)19-15/h1-10H,(H,18,19,20)/b10-9+
InChIKey
GVTQWTBKPKRCFL-MDZDMXLPSA-N
Compound name
2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

282.056 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06328 162.2
[M+Na]+ 305.04522 173.1
[M-H]- 281.04872 165.8
[M+NH4]+ 300.08982 176.6
[M+K]+ 321.01916 164.4
[M+H-H2O]+ 265.05326 153.6
[M+HCOO]- 327.05420 177.3
[M+CH3COO]- 341.06985 173.6
[M+Na-2H]- 303.03067 169.2
[M]+ 282.05545 163.0
[M]- 282.05655 163.0
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.