CID 207182

6-(diethylamino)hexyl p-anisate hydrochloride

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCN(CC)CCCCCCOC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C18H29NO3/c1-4-19(5-2)14-8-6-7-9-15-22-18(20)16-10-12-17(21-3)13-11-16/h10-13H,4-9,14-15H2,1-3H3
InChIKey
IHWUMIHPXYTKME-UHFFFAOYSA-N
Compound name
6-(diethylamino)hexyl 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 178.2
[M+Na]+ 330.203968 181.9
[M-H]- 306.207474 181.9
[M+NH4]+ 325.248573 193.5
[M+K]+ 346.177908 180.6
[M+H-H2O]+ 290.212010 170.0
[M+HCOO]- 352.212951 201.2
[M+CH3COO]- 366.228601 213.2
[M+Na-2H]- 328.189416 179.1
[M]+ 307.21420142 185.2
[M]- 307.21529858 185.2
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.