CID 131752666

2-(arabinosylamino)-3-(glucosylamino)propanenitrile

Structural Information

Molecular Formula
C14H25N3O9
SMILES
C1C(C(C(C(O1)NC(CNC2C(C(C(C(O2)CO)O)O)O)C#N)O)O)O
InChI
InChI=1S/C14H25N3O9/c15-1-5(17-14-11(23)8(20)6(19)4-25-14)2-16-13-12(24)10(22)9(21)7(3-18)26-13/h5-14,16-24H,2-4H2
InChIKey
BTGYSUHNSKOEKC-UHFFFAOYSA-N
Compound name
3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-[(3,4,5-trihydroxyoxan-2-yl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1591 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16638 183.9
[M+Na]+ 402.14832 186.9
[M-H]- 378.15182 181.8
[M+NH4]+ 397.19292 187.2
[M+K]+ 418.12226 187.3
[M+H-H2O]+ 362.15636 170.9
[M+HCOO]- 424.15730 187.9
[M+CH3COO]- 438.17295 222.9
[M+Na-2H]- 400.13377 181.1
[M]+ 379.15855 173.0
[M]- 379.15965 173.0
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.