CID 217632

39070-38-7

Structural Information

Molecular Formula
C24H17N3O4
SMILES
COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C24H17N3O4/c1-31-16-12-10-15(11-13-16)27-21(25-20-9-5-4-8-19(20)24(27)30)14-26-22(28)17-6-2-3-7-18(17)23(26)29/h2-13H,14H2,1H3
InChIKey
ZXOGMFSXRWAZPB-UHFFFAOYSA-N
Compound name
2-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

411.12192 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.12920 200.3
[M+Na]+ 434.11114 211.2
[M-H]- 410.11464 208.9
[M+NH4]+ 429.15574 209.9
[M+K]+ 450.08508 203.9
[M+H-H2O]+ 394.11918 188.2
[M+HCOO]- 456.12012 217.7
[M+CH3COO]- 470.13577 209.9
[M+Na-2H]- 432.09659 201.7
[M]+ 411.12137 204.1
[M]- 411.12247 204.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe