CID 99771

Chebi:200715

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CC1(C2CC34CCCN3C(=O)C2(CC15C(=O)C6=CC=CC=C6N5)NC4=O)C
InChI
InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)
InChIKey
MWOFPQAPILIIPR-UHFFFAOYSA-N
Compound name
10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

21
Patents

365.17395 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.181226 178.7
[M+Na]+ 388.163168 187.2
[M-H]- 364.166674 178.4
[M+NH4]+ 383.207773 204.1
[M+K]+ 404.137108 178.6
[M+H-H2O]+ 348.171210 169.0
[M+HCOO]- 410.172151 181.6
[M+CH3COO]- 424.187801 186.4
[M+Na-2H]- 386.148616 180.2
[M]+ 365.17340142 177.0
[M]- 365.17449858 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.