CID 31648

Brn 0826239

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]+ 292.201946 171.5
[M+Na]+ 314.183888 174.1
[M-H]- 290.187394 173.7
[M+NH4]+ 309.228493 183.3
[M+K]+ 330.157828 170.9
[M+H-H2O]+ 274.191930 161.3
[M+HCOO]- 336.192871 188.8
[M+CH3COO]- 350.208521 203.2
[M+Na-2H]- 312.169336 174.1
[M]+ 291.19412142 168.9
[M]- 291.19521858 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.