CID 408619

Quinazolinium, 3,4-dihydro-1-ethyl-2-methyl-4-oxo-3-phenyl-, perchlorate

Structural Information

Molecular Formula
C17H17N2O
SMILES
CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C
InChI
InChI=1S/C17H17N2O/c1-3-18-13(2)19(14-9-5-4-6-10-14)17(20)15-11-7-8-12-16(15)18/h4-12H,3H2,1-2H3/q+1
InChIKey
HTQWSODKXYGNGX-UHFFFAOYSA-N
Compound name
1-ethyl-2-methyl-3-phenylquinazolin-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1341 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14138 164.3
[M+Na]+ 288.12332 174.7
[M-H]- 264.12682 170.1
[M+NH4]+ 283.16792 179.3
[M+K]+ 304.09726 163.4
[M+H-H2O]+ 248.13136 157.5
[M+HCOO]- 310.13230 184.6
[M+CH3COO]- 324.14795 193.3
[M+Na-2H]- 286.10877 173.1
[M]+ 265.13355 165.1
[M]- 265.13465 165.1
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.