CID 3060820

C 4211

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCCNC1=CC(=C(C=C1)C(=O)OC2CCN(CC2)CC)O
InChI
InChI=1S/C18H28N2O3/c1-3-5-10-19-14-6-7-16(17(21)13-14)18(22)23-15-8-11-20(4-2)12-9-15/h6-7,13,15,19,21H,3-5,8-12H2,1-2H3
InChIKey
XTTXUFVKBRLTCR-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-4-yl) 4-(butylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 179.1
[M+Na]+ 343.19922 182.1
[M-H]- 319.20272 181.8
[M+NH4]+ 338.24382 190.9
[M+K]+ 359.17316 178.6
[M+H-H2O]+ 303.20726 170.2
[M+HCOO]- 365.20820 195.8
[M+CH3COO]- 379.22385 209.3
[M+Na-2H]- 341.18467 178.8
[M]+ 320.20945 177.3
[M]- 320.21055 177.3
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.