CID 3087382

114416-20-5

Structural Information

Molecular Formula
C16H26NO5P
SMILES
CCCOP(=O)(CNC1=CC=C(C=C1)C(=O)OCC)OCCC
InChI
InChI=1S/C16H26NO5P/c1-4-11-21-23(19,22-12-5-2)13-17-15-9-7-14(8-10-15)16(18)20-6-3/h7-10,17H,4-6,11-13H2,1-3H3
InChIKey
XCZPKXSAYJHEMB-UHFFFAOYSA-N
Compound name
ethyl 4-(dipropoxyphosphorylmethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.15485 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16213 183.7
[M+Na]+ 366.14407 187.7
[M-H]- 342.14757 185.2
[M+NH4]+ 361.18867 197.2
[M+K]+ 382.11801 186.7
[M+H-H2O]+ 326.15211 173.7
[M+HCOO]- 388.15305 210.8
[M+CH3COO]- 402.16870 214.5
[M+Na-2H]- 364.12952 184.0
[M]+ 343.15430 191.6
[M]- 343.15540 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.