CID 9543429

Ndelta-(n'-sulphodiaminophosphinyl)-l-ornithine

Structural Information

Molecular Formula
C5H15N4O6PS
SMILES
C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O
InChI
InChI=1S/C5H15N4O6PS/c6-4(5(10)11)2-1-3-8-16(7,12)9-17(13,14)15/h4H,1-3,6H2,(H,10,11)(H,13,14,15)(H4,7,8,9,12)/t4-,16+/m0/s1
InChIKey
MDGVOXPIIICZEK-FOIQGAMDSA-N
Compound name
(2S)-2-amino-5-[[amino-(sulfoamino)phosphoryl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

290.04498 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.05226 153.9
[M+Na]+ 313.03420 155.9
[M-H]- 289.03770 148.4
[M+NH4]+ 308.07880 165.8
[M+K]+ 329.00814 154.8
[M+H-H2O]+ 273.04224 144.7
[M+HCOO]- 335.04318 174.0
[M+CH3COO]- 349.05883 201.8
[M+Na-2H]- 311.01965 154.7
[M]+ 290.04443 151.4
[M]- 290.04553 151.4
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