CID 439474

(2r,3s,5r,6s)-4-{[amino(iminio)methyl]amino}-2,3,5,6-tetrahydroxycyclohexyl phosphate

Structural Information

Molecular Formula
C7H16N3O8P
SMILES
[C@H]1([C@H](C([C@H]([C@@H](C1N=C(N)N)O)O)OP(=O)(O)O)O)O
InChI
InChI=1S/C7H16N3O8P/c8-7(9)10-1-2(11)4(13)6(5(14)3(1)12)18-19(15,16)17/h1-6,11-14H,(H4,8,9,10)(H2,15,16,17)/t1?,2-,3+,4+,5-,6?
InChIKey
LQSANMIGNWXLNF-UYSNGIAKSA-N
Compound name
[(2R,3S,5R,6S)-4-(diaminomethylideneamino)-2,3,5,6-tetrahydroxycyclohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

301.0675 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07478 159.3
[M+Na]+ 324.05672 162.8
[M-H]- 300.06022 154.2
[M+NH4]+ 319.10132 169.9
[M+K]+ 340.03066 162.7
[M+H-H2O]+ 284.06476 151.5
[M+HCOO]- 346.06570 178.2
[M+CH3COO]- 360.08135 201.8
[M+Na-2H]- 322.04217 156.3
[M]+ 301.06695 152.5
[M]- 301.06805 152.5
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.