CID 9574585

Acetic acid, (diethoxyphosphinyl)[(4-methoxy-2-nitrophenyl)hydrazono]-, ethyl ester, (2e)-

Structural Information

Molecular Formula
C15H22N3O8P
SMILES
CCOC(=O)/C(=N\NC1=C(C=C(C=C1)OC)[N+](=O)[O-])/P(=O)(OCC)OCC
InChI
InChI=1S/C15H22N3O8P/c1-5-24-15(19)14(27(22,25-6-2)26-7-3)17-16-12-9-8-11(23-4)10-13(12)18(20)21/h8-10,16H,5-7H2,1-4H3/b17-14+
InChIKey
GWYJNHVTIOMENX-SAPNQHFASA-N
Compound name
ethyl (2E)-2-diethoxyphosphoryl-2-[(4-methoxy-2-nitrophenyl)hydrazinylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.11444 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.12172 200.7
[M+Na]+ 426.10366 212.3
[M-H]- 402.10716 207.4
[M+NH4]+ 421.14826 211.0
[M+K]+ 442.07760 201.5
[M+H-H2O]+ 386.11170 179.9
[M+HCOO]- 448.11264 218.9
[M+CH3COO]- 462.12829 222.2
[M+Na-2H]- 424.08911 192.1
[M]+ 403.11389 193.7
[M]- 403.11499 193.7
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.