CID 3047956

63869-46-5

Structural Information

Molecular Formula
C23H27NO
SMILES
C[C@H]1[C@@H]2CC3=CC=CC=C3[C@@]1(CCN2CCC(=O)C4=CC=CC=C4)C
InChI
InChI=1S/C23H27NO/c1-17-21-16-19-10-6-7-11-20(19)23(17,2)13-15-24(21)14-12-22(25)18-8-4-3-5-9-18/h3-11,17,21H,12-16H2,1-2H3/t17-,21-,23+/m0/s1
InChIKey
RTGUEGOEEBSIDB-JWNTYJGQSA-N
Compound name
3-[(1R,9S,13R)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-10-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21654 184.0
[M+Na]+ 356.19848 189.0
[M-H]- 332.20198 188.0
[M+NH4]+ 351.24308 200.3
[M+K]+ 372.17242 182.8
[M+H-H2O]+ 316.20652 173.7
[M+HCOO]- 378.20746 196.4
[M+CH3COO]- 392.22311 192.5
[M+Na-2H]- 354.18393 187.4
[M]+ 333.20871 181.2
[M]- 333.20981 181.2
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.