CID 406059

[[(4-methylthiazol-2-yl)amino]-phosphono-methyl]phosphonic acid

Structural Information

Molecular Formula
C5H10N2O6P2S
SMILES
CC1=CSC(=N1)NC(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C5H10N2O6P2S/c1-3-2-16-4(6-3)7-5(14(8,9)10)15(11,12)13/h2,5H,1H3,(H,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKey
WPRZJIVPPUKPKR-UHFFFAOYSA-N
Compound name
[[(4-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

287.97348 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98076 155.5
[M+Na]+ 310.96270 160.3
[M-H]- 286.96620 150.5
[M+NH4]+ 306.00730 169.2
[M+K]+ 326.93664 159.1
[M+H-H2O]+ 270.97074 145.5
[M+HCOO]- 332.97168 178.4
[M+CH3COO]- 346.98733 189.2
[M+Na-2H]- 308.94815 154.9
[M]+ 287.97293 156.0
[M]- 287.97403 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe