CID 369151

Nsc640738

Structural Information

Molecular Formula
C20H22N2O
SMILES
CC1(C2CCC(=C)C(C2)C(=N1)C(=O)C3=CNC4=CC=CC=C43)C
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/h4-7,11,13,15,21H,1,8-10H2,2-3H3
InChIKey
JASABNKRQAFMNO-UHFFFAOYSA-N
Compound name
(4,4-dimethyl-8-methylidene-3-azabicyclo[3.3.1]non-2-en-2-yl)-(1H-indol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 175.2
[M+Na]+ 329.16244 183.6
[M-H]- 305.16594 178.2
[M+NH4]+ 324.20704 193.1
[M+K]+ 345.13638 176.2
[M+H-H2O]+ 289.17048 166.6
[M+HCOO]- 351.17142 188.5
[M+CH3COO]- 365.18707 185.0
[M+Na-2H]- 327.14789 177.3
[M]+ 306.17267 172.6
[M]- 306.17377 172.6
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.