CID 59245

102179-55-5

Structural Information

Molecular Formula
C19H33NO4
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N(CCO)CCO)OC
InChI
InChI=1S/C19H33NO4/c1-3-4-5-6-7-8-15-24-18-10-9-17(16-19(18)23-2)20(11-13-21)12-14-22/h9-10,16,21-22H,3-8,11-15H2,1-2H3
InChIKey
NLVKYGHYDCFKJK-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-3-methoxy-4-octoxyanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.24097 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.24825 185.9
[M+Na]+ 362.23019 188.9
[M-H]- 338.23369 186.7
[M+NH4]+ 357.27479 198.6
[M+K]+ 378.20413 186.4
[M+H-H2O]+ 322.23823 177.7
[M+HCOO]- 384.23917 206.4
[M+CH3COO]- 398.25482 215.0
[M+Na-2H]- 360.21564 186.0
[M]+ 339.24042 192.6
[M]- 339.24152 192.6
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