CID 5276549

[hydroxy-(1-naphthylmethylamino)-phosphono-methyl]phosphonic acid

Structural Information

Molecular Formula
C12H15NO7P2
SMILES
C1=CC=C2C(=C1)C=CC=C2CNC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C12H15NO7P2/c14-12(21(15,16)17,22(18,19)20)13-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,13-14H,8H2,(H2,15,16,17)(H2,18,19,20)
InChIKey
LJXYCEVUUHTVGD-UHFFFAOYSA-N
Compound name
[hydroxy-(naphthalen-1-ylmethylamino)-phosphonomethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.03238 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.03966 178.9
[M+Na]+ 370.02160 182.7
[M-H]- 346.02510 174.1
[M+NH4]+ 365.06620 189.4
[M+K]+ 385.99554 180.7
[M+H-H2O]+ 330.02964 168.9
[M+HCOO]- 392.03058 201.9
[M+CH3COO]- 406.04623 201.9
[M+Na-2H]- 368.00705 184.0
[M]+ 347.03183 177.5
[M]- 347.03293 177.5
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.