CID 796895

300391-14-4

Structural Information

Molecular Formula
C22H23N3O
SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H23N3O/c26-22(23-21-12-6-10-19-9-4-5-11-20(19)21)25-15-13-24(14-16-25)17-18-7-2-1-3-8-18/h1-12H,13-17H2,(H,23,26)
InChIKey
RFMHQGJRWXPKJH-UHFFFAOYSA-N
Compound name
4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

345.1841 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19138 183.5
[M+Na]+ 368.17332 187.0
[M-H]- 344.17682 189.5
[M+NH4]+ 363.21792 193.3
[M+K]+ 384.14726 180.4
[M+H-H2O]+ 328.18136 171.4
[M+HCOO]- 390.18230 199.3
[M+CH3COO]- 404.19795 191.3
[M+Na-2H]- 366.15877 187.8
[M]+ 345.18355 177.7
[M]- 345.18465 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.