CID 20556914

Mebeverine acid

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCN(CCCC(=O)O)C(C)CC1=CC=C(C=C1)OC
InChI
InChI=1S/C16H25NO3/c1-4-17(11-5-6-16(18)19)13(2)12-14-7-9-15(20-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKey
UZUWRVLVHOYTNN-UHFFFAOYSA-N
Compound name
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

279.18344 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 169.3
[M+Na]+ 302.17266 173.1
[M-H]- 278.17616 172.0
[M+NH4]+ 297.21726 184.8
[M+K]+ 318.14660 171.9
[M+H-H2O]+ 262.18070 161.9
[M+HCOO]- 324.18164 190.4
[M+CH3COO]- 338.19729 206.2
[M+Na-2H]- 300.15811 169.5
[M]+ 279.18289 173.1
[M]- 279.18399 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe