CID 3076470

Brn 4769650

Structural Information

Molecular Formula
C23H14IN3O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=C(C=C(C=C4)I)C(=O)N3C5=CC=C(C=C5)O
InChI
InChI=1S/C23H14IN3O4/c24-13-5-10-19-18(11-13)23(31)27(14-6-8-15(28)9-7-14)20(25-19)12-26-21(29)16-3-1-2-4-17(16)22(26)30/h1-11,28H,12H2
InChIKey
CZIDLRDDFPHWRC-UHFFFAOYSA-N
Compound name
2-[[3-(4-hydroxyphenyl)-6-iodo-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.0029 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.01018 197.0
[M+Na]+ 545.99212 201.2
[M-H]- 521.99562 197.1
[M+NH4]+ 541.03672 201.7
[M+K]+ 561.96606 199.5
[M+H-H2O]+ 506.00016 182.5
[M+HCOO]- 568.00110 208.4
[M+CH3COO]- 582.01675 202.4
[M+Na-2H]- 543.97757 187.8
[M]+ 523.00235 196.5
[M]- 523.00345 196.5
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.