CID 109090

61470-70-0

Structural Information

Molecular Formula
C15H17N4O6P
SMILES
CCN1C(=C(C(=C(C1=O)N=NC2=CC(=CC=C2)P(=O)(O)O)C)C(=O)N)O
InChI
InChI=1S/C15H17N4O6P/c1-3-19-14(21)11(13(16)20)8(2)12(15(19)22)18-17-9-5-4-6-10(7-9)26(23,24)25/h4-7,21H,3H2,1-2H3,(H2,16,20)(H2,23,24,25)
InChIKey
LGBJQFMEYYVAHH-UHFFFAOYSA-N
Compound name
[3-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxopyridin-3-yl)diazenyl]phenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.08856 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.09584 184.0
[M+Na]+ 403.07778 191.4
[M-H]- 379.08128 187.9
[M+NH4]+ 398.12238 193.2
[M+K]+ 419.05172 189.6
[M+H-H2O]+ 363.08582 172.9
[M+HCOO]- 425.08676 211.4
[M+CH3COO]- 439.10241 225.9
[M+Na-2H]- 401.06323 183.8
[M]+ 380.08801 186.3
[M]- 380.08911 186.3
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.