CID 3055317

4-(2-(6-methoxy-2-naphthalenyl)propyl)-n-propyl-1-piperazinecarboxamide

Structural Information

Molecular Formula
C22H31N3O2
SMILES
CCCNC(=O)N1CCN(CC1)CC(C)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C22H31N3O2/c1-4-9-23-22(26)25-12-10-24(11-13-25)16-17(2)18-5-6-20-15-21(27-3)8-7-19(20)14-18/h5-8,14-15,17H,4,9-13,16H2,1-3H3,(H,23,26)
InChIKey
CDKCXHVTGIJVNC-UHFFFAOYSA-N
Compound name
4-[2-(6-methoxynaphthalen-2-yl)propyl]-N-propylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.24164 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.24892 193.5
[M+Na]+ 392.23086 196.3
[M-H]- 368.23436 196.6
[M+NH4]+ 387.27546 203.4
[M+K]+ 408.20480 191.7
[M+H-H2O]+ 352.23890 182.7
[M+HCOO]- 414.23984 207.4
[M+CH3COO]- 428.25549 222.1
[M+Na-2H]- 390.21631 193.6
[M]+ 369.24109 191.9
[M]- 369.24219 191.9
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.