CID 11289630

261365-11-1

Structural Information

Molecular Formula
C11H15N2O4PS
SMILES
CC(C)CC1=C(N=C(S1)N)C2=CC=C(O2)P(=O)(O)O
InChI
InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)
InChIKey
XJMYIJPPDSZOPN-UHFFFAOYSA-N
Compound name
[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

80
Patents

302.049 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05628 165.6
[M+Na]+ 325.03822 173.3
[M+NH4]+ 320.08282 170.6
[M+K]+ 341.01216 173.5
[M-H]- 301.04172 166.5
[M+Na-2H]- 323.02367 167.6
[M]+ 302.04845 166.9
[M]- 302.04955 166.9
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