CID 372920

Nsc648632

Structural Information

Molecular Formula
C15H20NO8P
SMILES
CCOP(=O)(C(C(=O)C(=O)NC1=CC(=CC=C1)O)C(=O)OC)OCC
InChI
InChI=1S/C15H20NO8P/c1-4-23-25(21,24-5-2)13(15(20)22-3)12(18)14(19)16-10-7-6-8-11(17)9-10/h6-9,13,17H,4-5H2,1-3H3,(H,16,19)
InChIKey
JPCOBXXWQUIDQT-UHFFFAOYSA-N
Compound name
methyl 2-diethoxyphosphoryl-4-(3-hydroxyanilino)-3,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.09265 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09993 181.2
[M+Na]+ 396.08187 184.4
[M-H]- 372.08537 181.7
[M+NH4]+ 391.12647 192.0
[M+K]+ 412.05581 185.6
[M+H-H2O]+ 356.08991 171.7
[M+HCOO]- 418.09085 205.2
[M+CH3COO]- 432.10650 216.0
[M+Na-2H]- 394.06732 179.3
[M]+ 373.09210 187.7
[M]- 373.09320 187.7
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.