CID 369152

Nsc640739

Structural Information

Molecular Formula
C20H22N2O
SMILES
CC1=CCC2CC1C(=NC2(C)C)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C20H22N2O/c1-12-8-9-13-10-15(12)18(22-20(13,2)3)19(23)16-11-21-17-7-5-4-6-14(16)17/h4-8,11,13,15,21H,9-10H2,1-3H3
InChIKey
SEFQLMNDSVHUGG-UHFFFAOYSA-N
Compound name
1H-indol-3-yl-(4,4,8-trimethyl-3-azabicyclo[3.3.1]nona-2,7-dien-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 175.1
[M+Na]+ 329.16244 184.3
[M-H]- 305.16594 178.6
[M+NH4]+ 324.20704 193.3
[M+K]+ 345.13638 177.4
[M+H-H2O]+ 289.17048 166.6
[M+HCOO]- 351.17142 189.8
[M+CH3COO]- 365.18707 185.5
[M+Na-2H]- 327.14789 178.3
[M]+ 306.17267 174.7
[M]- 306.17377 174.7
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.