CID 5842104

58956-96-0

Structural Information

Molecular Formula
C17H25N2O5P
SMILES
CCOP(=O)(/C(=C/N1CCOCC1)/NC(=O)C2=CC=CC=C2)OCC
InChI
InChI=1S/C17H25N2O5P/c1-3-23-25(21,24-4-2)16(14-19-10-12-22-13-11-19)18-17(20)15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3,(H,18,20)/b16-14+
InChIKey
QTROGWKYFRCFDP-JQIJEIRASA-N
Compound name
N-[(E)-1-diethoxyphosphoryl-2-morpholin-4-ylethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.15012 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15740 188.1
[M+Na]+ 391.13934 188.9
[M-H]- 367.14284 190.9
[M+NH4]+ 386.18394 196.7
[M+K]+ 407.11328 188.6
[M+H-H2O]+ 351.14738 176.4
[M+HCOO]- 413.14832 209.0
[M+CH3COO]- 427.16397 215.5
[M+Na-2H]- 389.12479 188.0
[M]+ 368.14957 188.4
[M]- 368.15067 188.4
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.