CID 215869

Brn 0896057

Structural Information

Molecular Formula
C23H26N2O
SMILES
C1C[C@@H]2C3=CC=CC=C3C[C@H]([C@H]1N4CCN(CC4)C5=CC=CC=C5)C2=O
InChI
InChI=1S/C23H26N2O/c26-23-20-10-11-22(21(23)16-17-6-4-5-9-19(17)20)25-14-12-24(13-15-25)18-7-2-1-3-8-18/h1-9,20-22H,10-16H2/t20-,21-,22+/m1/s1
InChIKey
AVOVUWSBNQIVFM-VSKRKVRLSA-N
Compound name
(1R,9R,10S)-10-(4-phenylpiperazin-1-yl)tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21178 187.4
[M+Na]+ 369.19372 202.4
[M+NH4]+ 364.23832 197.4
[M+K]+ 385.16766 191.9
[M-H]- 345.19722 193.9
[M+Na-2H]- 367.17917 193.7
[M]+ 346.20395 191.5
[M]- 346.20505 191.5
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.