CID 379219

101976-06-1

Structural Information

Molecular Formula
C18H21N3O3
SMILES
CCOC(=O)N1CCN(CC1)C(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H21N3O3/c1-2-24-18(23)21-12-10-20(11-13-21)17(22)19-16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3,(H,19,22)
InChIKey
ZMPLXBACRCPNKB-UHFFFAOYSA-N
Compound name
ethyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

327.1583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16558 177.3
[M+Na]+ 350.14752 181.3
[M-H]- 326.15102 180.9
[M+NH4]+ 345.19212 188.6
[M+K]+ 366.12146 177.6
[M+H-H2O]+ 310.15556 167.0
[M+HCOO]- 372.15650 193.0
[M+CH3COO]- 386.17215 209.2
[M+Na-2H]- 348.13297 180.4
[M]+ 327.15775 174.5
[M]- 327.15885 174.5
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.