CID 3077540

Brn 4774270

Structural Information

Molecular Formula
C29H25IN4O4
SMILES
C1CCN(CC1)CC2=C(C=CC(=C2)N3C(=NC4=C(C3=O)C=C(C=C4)I)CN5C(=O)C6=CC=CC=C6C5=O)O
InChI
InChI=1S/C29H25IN4O4/c30-19-8-10-24-23(15-19)29(38)34(20-9-11-25(35)18(14-20)16-32-12-4-1-5-13-32)26(31-24)17-33-27(36)21-6-2-3-7-22(21)28(33)37/h2-3,6-11,14-15,35H,1,4-5,12-13,16-17H2
InChIKey
XGEKIOXMDOUOJT-UHFFFAOYSA-N
Compound name
2-[[3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-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

620.09204 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.09932 241.0
[M+Na]+ 643.08126 249.0
[M+NH4]+ 638.12586 241.9
[M+K]+ 659.05520 245.0
[M-H]- 619.08476 240.8
[M+Na-2H]- 641.06671 233.9
[M]+ 620.09149 241.0
[M]- 620.09259 241.0
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.