CID 3055321

72278-79-6

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CC(CN1CCN(CC1)C(=O)C)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C20H26N2O2/c1-15(14-21-8-10-22(11-9-21)16(2)23)17-4-5-19-13-20(24-3)7-6-18(19)12-17/h4-7,12-13,15H,8-11,14H2,1-3H3
InChIKey
ILVONXFDHYBVMK-UHFFFAOYSA-N
Compound name
1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 181.0
[M+Na]+ 349.18865 185.6
[M-H]- 325.19215 184.6
[M+NH4]+ 344.23325 192.9
[M+K]+ 365.16259 181.3
[M+H-H2O]+ 309.19669 170.9
[M+HCOO]- 371.19763 194.5
[M+CH3COO]- 385.21328 211.8
[M+Na-2H]- 347.17410 181.5
[M]+ 326.19888 179.4
[M]- 326.19998 179.4
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.