CID 3055316

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

Structural Information

Molecular Formula
C21H29N3O2
SMILES
CC(CN1CCN(CC1)C(=O)N(C)C)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C21H29N3O2/c1-16(15-23-9-11-24(12-10-23)21(25)22(2)3)17-5-6-19-14-20(26-4)8-7-18(19)13-17/h5-8,13-14,16H,9-12,15H2,1-4H3
InChIKey
DUYFIMJKRLCRSQ-UHFFFAOYSA-N
Compound name
4-[2-(6-methoxynaphthalen-2-yl)propyl]-N,N-dimethylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.22598 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.23326 187.5
[M+Na]+ 378.21520 199.2
[M+NH4]+ 373.25980 194.5
[M+K]+ 394.18914 192.5
[M-H]- 354.21870 191.4
[M+Na-2H]- 376.20065 192.9
[M]+ 355.22543 190.1
[M]- 355.22653 190.1
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.