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]+ 332.17574 179.1
[M+Na]+ 354.15768 183.1
[M-H]- 330.16118 185.4
[M+NH4]+ 349.20228 189.6
[M+K]+ 370.13162 176.7
[M+H-H2O]+ 314.16572 167.3
[M+HCOO]- 376.16666 195.3
[M+CH3COO]- 390.18231 187.4
[M+Na-2H]- 352.14313 184.0
[M]+ 331.16791 173.1
[M]- 331.16901 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.