CID 63654

Brn 5652095

Structural Information

Molecular Formula
C24H21ClIN3O2
SMILES
COC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)CNCCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H21ClIN3O2/c1-31-20-9-7-19(8-10-20)29-23(15-27-13-12-16-2-4-17(25)5-3-16)28-22-11-6-18(26)14-21(22)24(29)30/h2-11,14,27H,12-13,15H2,1H3
InChIKey
LAGIBVCCPVCIDJ-UHFFFAOYSA-N
Compound name
2-[[2-(4-chlorophenyl)ethylamino]methyl]-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.0367 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.04398 220.0
[M+Na]+ 568.02592 230.4
[M+NH4]+ 563.07052 223.3
[M+K]+ 583.99986 222.4
[M-H]- 544.02942 220.9
[M+Na-2H]- 566.01137 217.0
[M]+ 545.03615 221.3
[M]- 545.03725 221.3
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.