CID 3055308

Ethyl 4-(2-(6-methoxy-2-naphthalenyl)propyl)-1-piperazinecarboxylate hydrochloride

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CCOC(=O)N1CCN(CC1)CC(C)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C21H28N2O3/c1-4-26-21(24)23-11-9-22(10-12-23)15-16(2)17-5-6-19-14-20(25-3)8-7-18(19)13-17/h5-8,13-14,16H,4,9-12,15H2,1-3H3
InChIKey
PFQQPNRTDUWSDN-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

356.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 188.7
[M+Na]+ 379.19922 192.7
[M-H]- 355.20272 192.1
[M+NH4]+ 374.24382 199.4
[M+K]+ 395.17316 189.0
[M+H-H2O]+ 339.20726 178.2
[M+HCOO]- 401.20820 202.1
[M+CH3COO]- 415.22385 216.1
[M+Na-2H]- 377.18467 188.7
[M]+ 356.20945 188.8
[M]- 356.21055 188.8
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

patents stripe