CID 31648

23111-68-4

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CCOC(=O)NCCN1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C16H25N3O2/c1-2-21-16(20)17-8-9-18-10-12-19(13-11-18)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,17,20)
InChIKey
KWISGZYDAAJRCN-UHFFFAOYSA-N
Compound name
ethyl N-[2-(4-benzylpiperazin-1-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 172.0
[M+Na]+ 314.18389 182.1
[M+NH4]+ 309.22849 178.4
[M+K]+ 330.15783 175.4
[M-H]- 290.18739 174.5
[M+Na-2H]- 312.16934 177.6
[M]+ 291.19412 173.8
[M]- 291.19522 173.8
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.