CID 3077530

Brn 4774070

Structural Information

Molecular Formula
C28H24N4O5
SMILES
C1COCCN1CC2=C(C=CC(=C2)N3C(=NC4=CC=CC=C4C3=O)CN5C(=O)C6=CC=CC=C6C5=O)O
InChI
InChI=1S/C28H24N4O5/c33-24-10-9-19(15-18(24)16-30-11-13-37-14-12-30)32-25(29-23-8-4-3-7-22(23)28(32)36)17-31-26(34)20-5-1-2-6-21(20)27(31)35/h1-10,15,33H,11-14,16-17H2
InChIKey
YIKCZWUPAJZUFW-UHFFFAOYSA-N
Compound name
2-[[3-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.17468 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.18196 222.4
[M+Na]+ 519.16390 229.8
[M-H]- 495.16740 230.9
[M+NH4]+ 514.20850 224.3
[M+K]+ 535.13784 222.8
[M+H-H2O]+ 479.17194 208.3
[M+HCOO]- 541.17288 231.4
[M+CH3COO]- 555.18853 228.1
[M+Na-2H]- 517.14935 220.0
[M]+ 496.17413 221.6
[M]- 496.17523 221.6
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.