CID 30180

P-pentyloxybenzoic acid 2-diethylaminoethyl ester hydrochloride

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCCCCOC1=CC=C(C=C1)C(=O)OCCN(CC)CC
InChI
InChI=1S/C18H29NO3/c1-4-7-8-14-21-17-11-9-16(10-12-17)18(20)22-15-13-19(5-2)6-3/h9-12H,4-8,13-15H2,1-3H3
InChIKey
LLIMMFOKQKIGSX-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-pentoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 176.9
[M+Na]+ 330.20397 186.6
[M+NH4]+ 325.24857 183.2
[M+K]+ 346.17791 179.8
[M-H]- 306.20747 178.6
[M+Na-2H]- 328.18942 181.2
[M]+ 307.21420 178.6
[M]- 307.21530 178.6
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.