CID 11738327

Unii-9sm330o97x

Structural Information

Molecular Formula
C20H22N2O
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)N3CC4=C(C3=O)C5=CC=CC=C5C=C4
InChI
InChI=1S/C20H22N2O/c1-21-15-8-9-16(21)11-17(10-15)22-12-14-7-6-13-4-2-3-5-18(13)19(14)20(22)23/h2-7,15-17H,8-12H2,1H3/t15-,16+,17?
InChIKey
RCJGTDKFZCRBAH-SJPCQFCGSA-N
Compound name
2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-benzo[g]isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

306.17322 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 174.4
[M+Na]+ 329.16244 187.3
[M+NH4]+ 324.20704 184.7
[M+K]+ 345.13638 182.2
[M-H]- 305.16594 178.1
[M+Na-2H]- 327.14789 176.6
[M]+ 306.17267 177.3
[M]- 306.17377 177.3
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

patents stripe