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]+ 355.201616 186.1
[M+Na]+ 377.183558 187.4
[M-H]- 353.187064 189.6
[M+NH4]+ 372.228163 193.8
[M+K]+ 393.157498 182.8
[M+H-H2O]+ 337.191600 174.6
[M+HCOO]- 399.192541 199.5
[M+CH3COO]- 413.208191 210.9
[M+Na-2H]- 375.169006 186.5
[M]+ 354.19379142 182.2
[M]- 354.19488858 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.