CID 494307

Nsc378652

Structural Information

Molecular Formula
C21H18N2O3
SMILES
C1CC2C3C(C1N2C(=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5
InChI
InChI=1S/C21H18N2O3/c24-19(13-7-3-1-4-8-13)23-15-11-12-16(23)18-17(15)20(25)22(21(18)26)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2
InChIKey
YEGHIFVIHFADNY-UHFFFAOYSA-N
Compound name
10-benzoyl-4-phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13902 182.1
[M+Na]+ 369.12096 189.9
[M-H]- 345.12446 190.6
[M+NH4]+ 364.16556 200.2
[M+K]+ 385.09490 184.6
[M+H-H2O]+ 329.12900 175.1
[M+HCOO]- 391.12994 198.9
[M+CH3COO]- 405.14559 192.7
[M+Na-2H]- 367.10641 177.9
[M]+ 346.13119 181.9
[M]- 346.13229 181.9
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.