CID 3061318

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

Structural Information

Molecular Formula
C17H16BrN2O
SMILES
CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3Br)C
InChI
InChI=1S/C17H16BrN2O/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
GNRDZZZNQDJXMI-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-1-ethyl-2-methylquinazolin-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05188 174.5
[M+Na]+ 366.03382 187.9
[M-H]- 342.03732 182.9
[M+NH4]+ 361.07842 190.5
[M+K]+ 382.00776 169.8
[M+H-H2O]+ 326.04186 174.6
[M+HCOO]- 388.04280 192.5
[M+CH3COO]- 402.05845 203.4
[M+Na-2H]- 364.01927 183.1
[M]+ 343.04405 194.6
[M]- 343.04515 194.6
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.