CID 3061314

Quinazolinium, 3,4-dihydro-3-(o-chlorophenyl)-1-ethyl-2-methyl-4-oxo-, perchlorate

Structural Information

Molecular Formula
C17H16ClN2O
SMILES
CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3Cl)C
InChI
InChI=1S/C17H16ClN2O/c1-3-19-12(2)20(16-11-7-5-9-14(16)18)17(21)13-8-4-6-10-15(13)19/h4-11H,3H2,1-2H3/q+1
InChIKey
HHDVVTTYAWXZRT-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-1-ethyl-2-methylquinazolin-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09512 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10240 166.1
[M+Na]+ 322.08434 187.4
[M+NH4]+ 317.12894 176.5
[M+K]+ 338.05828 177.7
[M-H]- 298.08784 173.1
[M+Na-2H]- 320.06979 177.0
[M]+ 299.09457 172.2
[M]- 299.09567 172.2
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.