CID 258849

371228-37-4

Structural Information

Molecular Formula
C21H21N3O
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H21N3O/c25-21(22-20-12-6-8-17-7-4-5-11-19(17)20)24-15-13-23(14-16-24)18-9-2-1-3-10-18/h1-12H,13-16H2,(H,22,25)
InChIKey
QECIJZFCOJQWJS-UHFFFAOYSA-N
Compound name
N-naphthalen-1-yl-4-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

331.16846 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.175736 179.1
[M+Na]+ 354.157678 183.1
[M-H]- 330.161184 185.4
[M+NH4]+ 349.202283 189.6
[M+K]+ 370.131618 176.7
[M+H-H2O]+ 314.165720 167.3
[M+HCOO]- 376.166661 195.3
[M+CH3COO]- 390.182311 187.4
[M+Na-2H]- 352.143126 184.0
[M]+ 331.16791142 173.1
[M]- 331.16900858 173.1
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.