CID 3058367

75159-42-1

Structural Information

Molecular Formula
C17H11N3O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C17H11N3O3/c21-15-13-7-3-4-8-14(13)18-9-19(15)10-20-16(22)11-5-1-2-6-12(11)17(20)23/h1-9H,10H2
InChIKey
GZUHPMMVSQNZBO-UHFFFAOYSA-N
Compound name
2-[(4-oxoquinazolin-3-yl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.08005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08733 169.4
[M+Na]+ 328.06927 181.2
[M-H]- 304.07277 174.9
[M+NH4]+ 323.11387 184.0
[M+K]+ 344.04321 174.9
[M+H-H2O]+ 288.07731 159.6
[M+HCOO]- 350.07825 188.4
[M+CH3COO]- 364.09390 181.1
[M+Na-2H]- 326.05472 174.0
[M]+ 305.07950 171.7
[M]- 305.08060 171.7
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.