CID 45038887

O-desmethyl mebeverine acid

Structural Information

Molecular Formula
C15H23NO3
SMILES
CCN(CCCC(=O)O)C(C)CC1=CC=C(C=C1)O
InChI
InChI=1S/C15H23NO3/c1-3-16(10-4-5-15(18)19)12(2)11-13-6-8-14(17)9-7-13/h6-9,12,17H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKey
DJTCBAFIXOMULT-UHFFFAOYSA-N
Compound name
4-[ethyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 164.4
[M+Na]+ 288.15702 173.2
[M+NH4]+ 283.20162 170.3
[M+K]+ 304.13096 168.6
[M-H]- 264.16052 164.9
[M+Na-2H]- 286.14247 167.8
[M]+ 265.16725 165.4
[M]- 265.16835 165.4
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.