CID 494332

Nsc607416

Structural Information

Molecular Formula
C22H18N2O3
SMILES
CN1C(=O)C2C(C1=O)C(N3C2C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C22H18N2O3/c1-23-21(26)16-17(22(23)27)19(20(25)14-8-3-2-4-9-14)24-12-11-13-7-5-6-10-15(13)18(16)24/h2-12,16-19H,1H3
InChIKey
UFSUJWQOURKDBN-UHFFFAOYSA-N
Compound name
11-benzoyl-14-methyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13902 185.8
[M+Na]+ 381.12096 194.7
[M-H]- 357.12446 193.1
[M+NH4]+ 376.16556 202.2
[M+K]+ 397.09490 188.3
[M+H-H2O]+ 341.12900 177.6
[M+HCOO]- 403.12994 201.0
[M+CH3COO]- 417.14559 196.0
[M+Na-2H]- 379.10641 183.8
[M]+ 358.13119 185.9
[M]- 358.13229 185.9
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.