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]+ 388.224746 199.3
[M+Na]+ 410.206688 201.4
[M-H]- 386.210194 200.2
[M+NH4]+ 405.251293 210.9
[M+K]+ 426.180628 200.8
[M+H-H2O]+ 370.214730 188.8
[M+HCOO]- 432.215671 224.2
[M+CH3COO]- 446.231321 225.8
[M+Na-2H]- 408.192136 196.8
[M]+ 387.21692142 208.4
[M]- 387.21801858 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.