CID 3052145

Brn 0725950

Structural Information

Molecular Formula
C24H20IN3O4
SMILES
C1=CC=C(C=C1)C(=O)NCC2=NC3=C(C=CC=C3I)C(=O)N2CCC4=CC(=C(C=C4)O)O
InChI
InChI=1S/C24H20IN3O4/c25-18-8-4-7-17-22(18)27-21(14-26-23(31)16-5-2-1-3-6-16)28(24(17)32)12-11-15-9-10-19(29)20(30)13-15/h1-10,13,29-30H,11-12,14H2,(H,26,31)
InChIKey
OLYTWFIWJNQLMW-UHFFFAOYSA-N
Compound name
N-[[3-[2-(3,4-dihydroxyphenyl)ethyl]-8-iodo-4-oxoquinazolin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.04987 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.05715 223.5
[M+Na]+ 564.03909 230.7
[M+NH4]+ 559.08369 224.3
[M+K]+ 580.01303 225.7
[M-H]- 540.04259 222.1
[M+Na-2H]- 562.02454 217.7
[M]+ 541.04932 223.0
[M]- 541.05042 223.0
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.