CID 3060775

Salicylic acid, p-amino-, 2-(diethylamino)cyclohexyl ester, hydrochloride

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCN(CC)C1CCCCC1OC(=O)C2=C(C=C(C=C2)N)O
InChI
InChI=1S/C17H26N2O3/c1-3-19(4-2)14-7-5-6-8-16(14)22-17(21)13-10-9-12(18)11-15(13)20/h9-11,14,16,20H,3-8,18H2,1-2H3
InChIKey
OYMXXDCNKKYSPK-UHFFFAOYSA-N
Compound name
[2-(diethylamino)cyclohexyl] 4-amino-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.201616 174.2
[M+Na]+ 329.183558 177.0
[M-H]- 305.187064 179.4
[M+NH4]+ 324.228163 188.0
[M+K]+ 345.157498 175.1
[M+H-H2O]+ 289.191600 166.0
[M+HCOO]- 351.192541 193.4
[M+CH3COO]- 365.208191 211.7
[M+Na-2H]- 327.169006 173.0
[M]+ 306.19379142 171.1
[M]- 306.19488858 171.1
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.