CID 3060775

78280-30-5

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]+ 307.20162 174.2
[M+Na]+ 329.18356 177.0
[M-H]- 305.18706 179.4
[M+NH4]+ 324.22816 188.0
[M+K]+ 345.15750 175.1
[M+H-H2O]+ 289.19160 166.0
[M+HCOO]- 351.19254 193.4
[M+CH3COO]- 365.20819 211.7
[M+Na-2H]- 327.16901 173.0
[M]+ 306.19379 171.1
[M]- 306.19489 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.