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 188.7
[M+Na]+ 378.21520 192.1
[M-H]- 354.21870 193.5
[M+NH4]+ 373.25980 199.8
[M+K]+ 394.18914 189.1
[M+H-H2O]+ 338.22324 178.0
[M+HCOO]- 400.22418 203.4
[M+CH3COO]- 414.23983 222.4
[M+Na-2H]- 376.20065 188.6
[M]+ 355.22543 188.0
[M]- 355.22653 188.0
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.