CID 116680

Phosphoric acid, mono(2-butoxy-1-((ethyl(3-methylphenyl)amino)methyl)ethyl) monopropyl ester

Structural Information

Molecular Formula
C19H34NO5P
SMILES
CCCCOCC(CN(CC)C1=CC=CC(=C1)C)OP(=O)(O)OCCC
InChI
InChI=1S/C19H34NO5P/c1-5-8-13-23-16-19(25-26(21,22)24-12-6-2)15-20(7-3)18-11-9-10-17(4)14-18/h9-11,14,19H,5-8,12-13,15-16H2,1-4H3,(H,21,22)
InChIKey
DEVKEIYMOPMGOX-UHFFFAOYSA-N
Compound name
[1-butoxy-3-(N-ethyl-3-methylanilino)propan-2-yl] propyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.21747 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.22475 199.3
[M+Na]+ 410.20669 201.4
[M-H]- 386.21019 200.2
[M+NH4]+ 405.25129 210.9
[M+K]+ 426.18063 200.8
[M+H-H2O]+ 370.21473 188.8
[M+HCOO]- 432.21567 224.2
[M+CH3COO]- 446.23132 225.8
[M+Na-2H]- 408.19214 196.8
[M]+ 387.21692 208.4
[M]- 387.21802 208.4
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.