CID 3055314

72278-72-9

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CC(CN1CCN(CC1)C(=O)NC)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C20H27N3O2/c1-15(14-22-8-10-23(11-9-22)20(24)21-2)16-4-5-18-13-19(25-3)7-6-17(18)12-16/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,21,24)
InChIKey
ZIMZBSOYMFJWEC-UHFFFAOYSA-N
Compound name
4-[2-(6-methoxynaphthalen-2-yl)propyl]-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 184.7
[M+Na]+ 364.19955 188.4
[M-H]- 340.20305 188.1
[M+NH4]+ 359.24415 195.7
[M+K]+ 380.17349 184.2
[M+H-H2O]+ 324.20759 174.3
[M+HCOO]- 386.20853 199.2
[M+CH3COO]- 400.22418 216.2
[M+Na-2H]- 362.18500 185.8
[M]+ 341.20978 182.4
[M]- 341.21088 182.4
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.