CID 3082239

N-phosphonato-l-lombricine(2-)

Structural Information

Molecular Formula
C6H16N4O9P2
SMILES
C(COP(=O)(O)OC[C@@H](C(=O)O)N)N=C(N)NP(=O)(O)O
InChI
InChI=1S/C6H16N4O9P2/c7-4(5(11)12)3-19-21(16,17)18-2-1-9-6(8)10-20(13,14)15/h4H,1-3,7H2,(H,11,12)(H,16,17)(H5,8,9,10,13,14,15)/t4-/m0/s1
InChIKey
QOYUHKALUMVCHB-BYPYZUCNSA-N
Compound name
(2S)-2-amino-3-[2-[[amino-(phosphonoamino)methylidene]amino]ethoxy-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

350.03925 Da
Monoisotopic Mass

-7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.04653 170.5
[M+Na]+ 373.02847 178.2
[M-H]- 349.03197 180.8
[M+NH4]+ 368.07307 170.0
[M+K]+ 389.00241 163.7
[M+H-H2O]+ 333.03651 150.5
[M+HCOO]- 395.03745 175.2
[M+CH3COO]- 409.05310 213.2
[M+Na-2H]- 371.01392 159.4
[M]+ 350.03870 156.8
[M]- 350.03980 156.8
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