CID 378545

Nsc661179

Structural Information

Molecular Formula
C22H23NO4
SMILES
CCOC(=O)N1CCC2C(=C(C(C3=C2C(=O)C4=CC=CC=C4C3=O)C)C)C1
InChI
InChI=1S/C22H23NO4/c1-4-27-22(26)23-10-9-14-17(11-23)12(2)13(3)18-19(14)21(25)16-8-6-5-7-15(16)20(18)24/h5-8,13-14H,4,9-11H2,1-3H3
InChIKey
CAENHLBZXKEJNX-UHFFFAOYSA-N
Compound name
ethyl 5,6-dimethyl-7,12-dioxo-2,4,6,12b-tetrahydro-1H-naphtho[2,3-f]isoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 186.3
[M+Na]+ 388.15194 194.1
[M-H]- 364.15544 190.5
[M+NH4]+ 383.19654 200.7
[M+K]+ 404.12588 189.2
[M+H-H2O]+ 348.15998 177.3
[M+HCOO]- 410.16092 198.3
[M+CH3COO]- 424.17657 221.8
[M+Na-2H]- 386.13739 186.9
[M]+ 365.16217 186.8
[M]- 365.16327 186.8
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.