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]+ 334.216536 184.0
[M+Na]+ 356.198478 189.0
[M-H]- 332.201984 188.0
[M+NH4]+ 351.243083 200.3
[M+K]+ 372.172418 182.8
[M+H-H2O]+ 316.206520 173.7
[M+HCOO]- 378.207461 196.4
[M+CH3COO]- 392.223111 192.5
[M+Na-2H]- 354.183926 187.4
[M]+ 333.20871142 181.2
[M]- 333.20980858 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.