CID 3037200

62046-91-7

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]+ 379.238016 194.4
[M+Na]+ 401.219958 195.6
[M-H]- 377.223464 198.4
[M+NH4]+ 396.264563 202.4
[M+K]+ 417.193898 189.6
[M+H-H2O]+ 361.228000 182.7
[M+HCOO]- 423.228941 203.3
[M+CH3COO]- 437.244591 200.2
[M+Na-2H]- 399.205406 192.7
[M]+ 378.23019142 186.7
[M]- 378.23128858 186.7
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.