CID 3061308

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

Structural Information

Molecular Formula
C18H19N2O
SMILES
CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3C)C
InChI
InChI=1S/C18H19N2O/c1-4-19-14(3)20(16-11-7-5-9-13(16)2)18(21)15-10-6-8-12-17(15)19/h5-12H,4H2,1-3H3/q+1
InChIKey
OKVNLIFKUUYQSJ-UHFFFAOYSA-N
Compound name
1-ethyl-2-methyl-3-(2-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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15703 169.0
[M+Na]+ 302.13897 179.7
[M-H]- 278.14247 175.0
[M+NH4]+ 297.18357 183.6
[M+K]+ 318.11291 168.3
[M+H-H2O]+ 262.14701 162.1
[M+HCOO]- 324.14795 188.9
[M+CH3COO]- 338.16360 197.4
[M+Na-2H]- 300.12442 176.4
[M]+ 279.14920 170.4
[M]- 279.15030 170.4
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.