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

5
Patents

306.17322 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.180496 174.4
[M+Na]+ 329.162438 181.9
[M-H]- 305.165944 179.3
[M+NH4]+ 324.207043 193.7
[M+K]+ 345.136378 175.2
[M+H-H2O]+ 289.170480 166.0
[M+HCOO]- 351.171421 187.6
[M+CH3COO]- 365.187071 184.4
[M+Na-2H]- 327.147886 173.5
[M]+ 306.17267142 171.5
[M]- 306.17376858 171.5
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