CID 3076469

Brn 4768515

Structural Information

Molecular Formula
C23H15N3O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)O
InChI
InChI=1S/C23H15N3O4/c27-15-11-9-14(10-12-15)26-20(24-19-8-4-3-7-18(19)23(26)30)13-25-21(28)16-5-1-2-6-17(16)22(25)29/h1-12,27H,13H2
InChIKey
BXSSTJJZXUWLST-UHFFFAOYSA-N
Compound name
2-[[3-(4-hydroxyphenyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.10626 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.11354 195.6
[M+Na]+ 420.09548 206.6
[M-H]- 396.09898 203.2
[M+NH4]+ 415.14008 205.3
[M+K]+ 436.06942 198.9
[M+H-H2O]+ 380.10352 184.3
[M+HCOO]- 442.10446 212.0
[M+CH3COO]- 456.12011 205.2
[M+Na-2H]- 418.08093 197.4
[M]+ 397.10571 197.6
[M]- 397.10681 197.6
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.