CID 3046242

61896-99-9

Structural Information

Molecular Formula
C21H26N2O3
SMILES
C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O
InChI
InChI=1S/C21H26N2O3/c24-20(25)17-23-13-11-22(12-14-23)15-16-26-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,21H,11-17H2,(H,24,25)
InChIKey
LJNFTKSUBXTCSZ-UHFFFAOYSA-N
Compound name
2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.19434 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 186.1
[M+Na]+ 377.18356 187.4
[M-H]- 353.18706 189.6
[M+NH4]+ 372.22816 193.8
[M+K]+ 393.15750 182.8
[M+H-H2O]+ 337.19160 174.6
[M+HCOO]- 399.19254 199.5
[M+CH3COO]- 413.20819 210.9
[M+Na-2H]- 375.16901 186.5
[M]+ 354.19379 182.2
[M]- 354.19489 182.2
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.