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 171.5
[M+Na]+ 314.18389 174.1
[M-H]- 290.18739 173.7
[M+NH4]+ 309.22849 183.3
[M+K]+ 330.15783 170.9
[M+H-H2O]+ 274.19193 161.3
[M+HCOO]- 336.19287 188.8
[M+CH3COO]- 350.20852 203.2
[M+Na-2H]- 312.16934 174.1
[M]+ 291.19412 168.9
[M]- 291.19522 168.9
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.