CID 36748

P-isopropylbenzoic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)C(C)C
InChI
InChI=1S/C16H25NO2/c1-5-17(6-2)11-12-19-16(18)15-9-7-14(8-10-15)13(3)4/h7-10,13H,5-6,11-12H2,1-4H3
InChIKey
XDAFUIMSEHSBLF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 166.1
[M+Na]+ 286.17776 170.5
[M-H]- 262.18126 170.3
[M+NH4]+ 281.22236 183.1
[M+K]+ 302.15170 169.7
[M+H-H2O]+ 246.18580 158.7
[M+HCOO]- 308.18674 188.5
[M+CH3COO]- 322.20239 206.1
[M+Na-2H]- 284.16321 166.8
[M]+ 263.18799 170.2
[M]- 263.18909 170.2
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.