CID 32355

24396-93-8

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C(C=C1)CN2C3=C(C(=O)C=CC=C3)NC2=O
InChI
InChI=1S/C15H12N2O2/c18-13-9-5-4-8-12-14(13)16-15(19)17(12)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19)
InChIKey
ZPTAHPRABKEXAR-UHFFFAOYSA-N
Compound name
1-benzyl-3H-cyclohepta[d]imidazole-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.097146 155.1
[M+Na]+ 275.079088 165.1
[M-H]- 251.082594 161.3
[M+NH4]+ 270.123693 171.0
[M+K]+ 291.053028 163.4
[M+H-H2O]+ 235.087130 147.7
[M+HCOO]- 297.088071 177.1
[M+CH3COO]- 311.103721 167.6
[M+Na-2H]- 273.064536 160.7
[M]+ 252.08932142 154.2
[M]- 252.09041858 154.2
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.