CID 3072653

143579-10-6

Structural Information

Molecular Formula
C24H22ClN2O3
SMILES
CC1=[N+](C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl)CC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C24H22ClN2O3/c1-16-26(15-17-8-13-22(29-2)23(14-17)30-3)21-7-5-4-6-20(21)24(28)27(16)19-11-9-18(25)10-12-19/h4-14H,15H2,1-3H3/q+1
InChIKey
NPBXYDAQXHDVGD-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[(3,4-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 201.3
[M+Na]+ 444.12112 223.5
[M+NH4]+ 439.16572 210.4
[M+K]+ 460.09506 213.1
[M-H]- 420.12462 210.0
[M+Na-2H]- 442.10657 212.6
[M]+ 421.13135 208.0
[M]- 421.13245 208.0
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.