CID 5462475

N1-amidinostreptamine 6-phosphate

Structural Information

Molecular Formula
C7H17N4O7P
SMILES
[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)OP(=O)(O)O)N=C(N)N)O)N
InChI
InChI=1S/C7H17N4O7P/c8-1-3(12)2(11-7(9)10)6(5(14)4(1)13)18-19(15,16)17/h1-6,12-14H,8H2,(H4,9,10,11)(H2,15,16,17)/t1-,2+,3-,4+,5-,6-/m0/s1
InChIKey
YFFQDNQRUIYSNO-FUHDGFEASA-N
Compound name
[(1S,2R,3S,4S,5R,6S)-4-amino-2-(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

300.0835 Da
Monoisotopic Mass

-8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09078 159.6
[M+Na]+ 323.07272 163.0
[M-H]- 299.07622 155.4
[M+NH4]+ 318.11732 170.4
[M+K]+ 339.04666 162.9
[M+H-H2O]+ 283.08076 151.4
[M+HCOO]- 345.08170 180.2
[M+CH3COO]- 359.09735 206.7
[M+Na-2H]- 321.05817 156.2
[M]+ 300.08295 151.5
[M]- 300.08405 151.5
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.