CID 505911

N-[(2r,3r,4s)-4-amino-6-isopropenyl-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-3-yl]formamide

Structural Information

Molecular Formula
C12H20N2O5
SMILES
CC(=C)C1=C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC=O)N
InChI
InChI=1S/C12H20N2O5/c1-6(2)9-3-7(13)10(14-5-16)12(19-9)11(18)8(17)4-15/h3,5,7-8,10-12,15,17-18H,1,4,13H2,2H3,(H,14,16)/t7-,8+,10+,11+,12+/m0/s1
InChIKey
JVSFQXXPPWYWLO-RULNCXCMSA-N
Compound name
N-[(2R,3R,4S)-4-amino-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1372 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14448 164.6
[M+Na]+ 295.12642 167.8
[M-H]- 271.12992 163.8
[M+NH4]+ 290.17102 176.4
[M+K]+ 311.10036 166.8
[M+H-H2O]+ 255.13446 158.0
[M+HCOO]- 317.13540 179.4
[M+CH3COO]- 331.15105 199.5
[M+Na-2H]- 293.11187 162.4
[M]+ 272.13665 160.2
[M]- 272.13775 160.2
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.