CID 34139

P-ethoxybenzoic acid 2-(cyclohexylamino)propyl ester hydrochloride

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCOC1=CC=C(C=C1)C(=O)OCC(C)NC2CCCCC2
InChI
InChI=1S/C18H27NO3/c1-3-21-17-11-9-15(10-12-17)18(20)22-13-14(2)19-16-7-5-4-6-8-16/h9-12,14,16,19H,3-8,13H2,1-2H3
InChIKey
CJWYMQTWXLDJMK-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)propyl 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 175.0
[M+Na]+ 328.18832 176.3
[M-H]- 304.19182 179.8
[M+NH4]+ 323.23292 188.8
[M+K]+ 344.16226 174.2
[M+H-H2O]+ 288.19636 166.4
[M+HCOO]- 350.19730 193.5
[M+CH3COO]- 364.21295 207.5
[M+Na-2H]- 326.17377 175.2
[M]+ 305.19855 173.1
[M]- 305.19965 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.