CID 512771

(+/-)-{2-[3-(5-amino-4-carbamoyl-[1,2,3]triazol-1-yl)-4-hydroxy-cyclopentyl]-ethyl}-phosphonic acid

Structural Information

Molecular Formula
C10H18N5O5P
SMILES
C1[C@@H](C[C@H]([C@@H]1N2C(=C(N=N2)C(=O)N)N)O)CCP(=O)(O)O
InChI
InChI=1S/C10H18N5O5P/c11-9-8(10(12)17)13-14-15(9)6-3-5(4-7(6)16)1-2-21(18,19)20/h5-7,16H,1-4,11H2,(H2,12,17)(H2,18,19,20)/t5-,6+,7+/m0/s1
InChIKey
JTGFWOWJZVEHNV-RRKCRQDMSA-N
Compound name
2-[(1S,3R,4R)-3-(5-amino-4-carbamoyltriazol-1-yl)-4-hydroxycyclopentyl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.10455 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11183 168.7
[M+Na]+ 342.09377 173.1
[M-H]- 318.09727 166.5
[M+NH4]+ 337.13837 179.5
[M+K]+ 358.06771 171.5
[M+H-H2O]+ 302.10181 159.0
[M+HCOO]- 364.10275 188.7
[M+CH3COO]- 378.11840 203.9
[M+Na-2H]- 340.07922 164.3
[M]+ 319.10400 164.2
[M]- 319.10510 164.2
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.