CID 5276506

Phosphonic acid, (1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethylidene)bis-, conjugate acid

Structural Information

Molecular Formula
C9H13N2O7P2
SMILES
C1=CC=[N+]2C(=C1)NC=C2CC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H4,13,14,15,16,17,18)/p+1
InChIKey
PKDRHHVHXWXNBK-UHFFFAOYSA-O
Compound name
[1-hydroxy-2-(1H-imidazo[1,2-a]pyridin-4-ium-3-yl)-1-phosphonoethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.0198 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.02708 172.5
[M+Na]+ 346.00902 177.7
[M-H]- 322.01252 165.5
[M+NH4]+ 341.05362 182.5
[M+K]+ 361.98296 170.1
[M+H-H2O]+ 306.01706 165.5
[M+HCOO]- 368.01800 193.1
[M+CH3COO]- 382.03365 182.3
[M+Na-2H]- 343.99447 181.1
[M]+ 323.01925 169.9
[M]- 323.02035 169.9
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.