CID 1550160

Nsc637146

Structural Information

Molecular Formula
C17H26NO5P
SMILES
CCOC(=O)/C(=C\C1=CC=C(C=C1)N(C)C)/P(=O)(OCC)OCC
InChI
InChI=1S/C17H26NO5P/c1-6-21-17(19)16(24(20,22-7-2)23-8-3)13-14-9-11-15(12-10-14)18(4)5/h9-13H,6-8H2,1-5H3/b16-13+
InChIKey
DBFZOAVXEGNJQO-DTQAZKPQSA-N
Compound name
ethyl (E)-2-diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.15485 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16213 185.7
[M+Na]+ 378.14407 189.7
[M-H]- 354.14757 188.8
[M+NH4]+ 373.18867 199.4
[M+K]+ 394.11801 189.8
[M+H-H2O]+ 338.15211 175.9
[M+HCOO]- 400.15305 212.4
[M+CH3COO]- 414.16870 220.1
[M+Na-2H]- 376.12952 183.9
[M]+ 355.15430 194.0
[M]- 355.15540 194.0
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.