CID 2898262

Smr000106340

Structural Information

Molecular Formula
C20H25NO2
SMILES
CC1CC2=CC=CC=C2N1C(=O)C34CCC(C3(C)C)(C(=O)C4)C
InChI
InChI=1S/C20H25NO2/c1-13-11-14-7-5-6-8-15(14)21(13)17(23)20-10-9-19(4,16(22)12-20)18(20,2)3/h5-8,13H,9-12H2,1-4H3
InChIKey
UCCZEJKEPKONPP-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

311.18854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 174.3
[M+Na]+ 334.17776 183.1
[M+NH4]+ 329.22236 187.0
[M+K]+ 350.15170 176.7
[M-H]- 310.18126 175.7
[M+Na-2H]- 332.16321 178.8
[M]+ 311.18799 176.2
[M]- 311.18909 176.2
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.