CID 120277

Dtxsid00967265

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCCCNC1=CC(=C(C=C1)O)C(=O)OCCN(CC)CC
InChI
InChI=1S/C17H28N2O3/c1-4-7-10-18-14-8-9-16(20)15(13-14)17(21)22-12-11-19(5-2)6-3/h8-9,13,18,20H,4-7,10-12H2,1-3H3
InChIKey
ILYMJNCQROIQPN-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

308.21 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.217276 177.2
[M+Na]+ 331.199218 180.9
[M-H]- 307.202724 180.0
[M+NH4]+ 326.243823 191.6
[M+K]+ 347.173158 179.1
[M+H-H2O]+ 291.207260 169.2
[M+HCOO]- 353.208201 200.0
[M+CH3COO]- 367.223851 214.0
[M+Na-2H]- 329.184666 177.8
[M]+ 308.20945142 181.5
[M]- 308.21054858 181.5
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

patents stripe