CID 3072009

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

Structural Information

Molecular Formula
C24H22ClN2O3
SMILES
CC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl)CC4=C(C=C(C=C4)OC)OC
InChI
InChI=1S/C24H22ClN2O3/c1-16-26(15-17-8-13-20(29-2)14-23(17)30-3)22-7-5-4-6-21(22)24(28)27(16)19-11-9-18(25)10-12-19/h4-14H,15H2,1-3H3/q+1
InChIKey
UZSCZVQIKLVSAA-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-methylquinazolin-1-ium-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.1319 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.13918 207.0
[M+Na]+ 444.12112 217.7
[M-H]- 420.12462 215.5
[M+NH4]+ 439.16572 216.0
[M+K]+ 460.09506 204.9
[M+H-H2O]+ 404.12916 197.7
[M+HCOO]- 466.13010 221.2
[M+CH3COO]- 480.14575 221.3
[M+Na-2H]- 442.10657 211.3
[M]+ 421.13135 213.3
[M]- 421.13245 213.3
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.