CID 3070720

2-((3-dimethylamino-2-(2-carboxycyclobutylcarbonyloxy))propoxy)bibenzyl hydrochloride

Structural Information

Molecular Formula
C25H31NO5
SMILES
CN(C)CC(COC1=CC=CC=C1CCC2=CC=CC=C2)OC(=O)C3CCC3C(=O)O
InChI
InChI=1S/C25H31NO5/c1-26(2)16-20(31-25(29)22-15-14-21(22)24(27)28)17-30-23-11-7-6-10-19(23)13-12-18-8-4-3-5-9-18/h3-11,20-22H,12-17H2,1-2H3,(H,27,28)
InChIKey
RDAJFJGLPZMUSN-UHFFFAOYSA-N
Compound name
2-[1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-yl]oxycarbonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

425.2202 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.22748 207.5
[M+Na]+ 448.20942 212.3
[M+NH4]+ 443.25402 208.3
[M+K]+ 464.18336 208.7
[M-H]- 424.21292 208.2
[M+Na-2H]- 446.19487 209.8
[M]+ 425.21965 206.9
[M]- 425.22075 206.9
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

patents stripe