CID 3061312

Quinazolinium, 3,4-dihydro-1-ethyl-2-methyl-4-oxo-3-(p-tolyl)-, perchlorate

Structural Information

Molecular Formula
C18H19N2O
SMILES
CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)C)C
InChI
InChI=1S/C18H19N2O/c1-4-19-14(3)20(15-11-9-13(2)10-12-15)18(21)16-7-5-6-8-17(16)19/h5-12H,4H2,1-3H3/q+1
InChIKey
XAVLWNKVXZXSAN-UHFFFAOYSA-N
Compound name
1-ethyl-2-methyl-3-(4-methylphenyl)quinazolin-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14975 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15703 164.4
[M+Na]+ 302.13897 184.6
[M+NH4]+ 297.18357 174.4
[M+K]+ 318.11291 175.7
[M-H]- 278.14247 171.3
[M+Na-2H]- 300.12442 174.9
[M]+ 279.14920 169.9
[M]- 279.15030 169.9
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.