CID 3045046

Brn 0897607

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CCOC(=O)CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-2-25-20(24)17-22-13-15-23(16-14-22)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,21H,2,13-17H2,1H3
InChIKey
DBIXUWDQGMCMPB-UHFFFAOYSA-N
Compound name
ethyl 2-(4-benzhydrylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

338.19943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 183.7
[M+Na]+ 361.188648 185.7
[M-H]- 337.192154 188.6
[M+NH4]+ 356.233253 193.0
[M+K]+ 377.162588 181.2
[M+H-H2O]+ 321.196690 172.1
[M+HCOO]- 383.197631 198.4
[M+CH3COO]- 397.213281 210.6
[M+Na-2H]- 359.174096 184.4
[M]+ 338.19888142 180.1
[M]- 338.19997858 180.1
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

patents stripe