CID 10044334

Qf0301b

Structural Information

Molecular Formula
C23H28N2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC3CCC4=CC=CC=C4C3=O
InChI
InChI=1S/C23H28N2O2/c1-27-22-9-5-4-8-21(22)25-16-14-24(15-17-25)13-12-19-11-10-18-6-2-3-7-20(18)23(19)26/h2-9,19H,10-17H2,1H3
InChIKey
PJOARVZMKMVACL-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

364.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22238 191.8
[M+Na]+ 387.20432 195.4
[M-H]- 363.20782 197.5
[M+NH4]+ 382.24892 201.4
[M+K]+ 403.17826 189.2
[M+H-H2O]+ 347.21236 179.4
[M+HCOO]- 409.21330 204.4
[M+CH3COO]- 423.22895 199.1
[M+Na-2H]- 385.18977 192.2
[M]+ 364.21455 187.0
[M]- 364.21565 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.