CID 3064094

101976-00-5

Structural Information

Molecular Formula
C23H30N2O3
SMILES
C1CN(CCN1CCCC(=O)O)CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O3/c26-22(27)12-7-13-24-14-16-25(17-15-24)18-19-28-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,23H,7,12-19H2,(H,26,27)
InChIKey
JBZSQAMJWWICNB-UHFFFAOYSA-N
Compound name
4-[4-(2-benzhydryloxyethyl)piperazin-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.22565 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23293 196.2
[M+Na]+ 405.21487 207.6
[M+NH4]+ 400.25947 202.0
[M+K]+ 421.18881 200.1
[M-H]- 381.21837 199.9
[M+Na-2H]- 403.20032 203.1
[M]+ 382.22510 198.6
[M]- 382.22620 198.6
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.