CID 135573303

4(3h)-quinazolinone, 3-(4-hydroxy-3-methoxyanilino)-2-(1-propenyl)-

Structural Information

Molecular Formula
C24H20IN3O3
SMILES
CC1=CC=CC=C1NN2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC(=C(C=C4)O)OC
InChI
InChI=1S/C24H20IN3O3/c1-15-5-3-4-6-19(15)27-28-23(12-8-16-7-11-21(29)22(13-16)31-2)26-20-10-9-17(25)14-18(20)24(28)30/h3-14,27,29H,1-2H3/b12-8+
InChIKey
SADPOVVORVUNAJ-XYOKQWHBSA-N
Compound name
2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6-iodo-3-(2-methylanilino)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.05493 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.06221 209.7
[M+Na]+ 548.04415 211.7
[M-H]- 524.04765 209.1
[M+NH4]+ 543.08875 212.6
[M+K]+ 564.01809 210.0
[M+H-H2O]+ 508.05219 194.1
[M+HCOO]- 570.05313 223.3
[M+CH3COO]- 584.06878 213.9
[M+Na-2H]- 546.02960 201.2
[M]+ 525.05438 208.8
[M]- 525.05548 208.8
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.