CID 3037200

65708-80-7

Structural Information

Molecular Formula
C24H30N2O2
SMILES
CC(CN1CCN(CC1)[C@@H]2CC3=CC=CC=C3C[C@H]2O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H30N2O2/c1-18(24(28)19-7-3-2-4-8-19)17-25-11-13-26(14-12-25)22-15-20-9-5-6-10-21(20)16-23(22)27/h2-10,18,22-23,27H,11-17H2,1H3/t18?,22-,23-/m1/s1
InChIKey
SZDLYOHKAVLHRP-YMDSNFKLSA-N
Compound name
3-[4-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

378.23074 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 195.3
[M+Na]+ 401.21996 208.0
[M+NH4]+ 396.26456 202.8
[M+K]+ 417.19390 199.9
[M-H]- 377.22346 200.5
[M+Na-2H]- 399.20541 201.6
[M]+ 378.23019 198.5
[M]- 378.23129 198.5
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.