CID 20556914

475203-77-1

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.