CID 505905

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

Structural Information

Molecular Formula
C14H24N4O5
SMILES
CC(=C)C1=C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)N=C(N)N
InChI
InChI=1S/C14H24N4O5/c1-6(2)10-4-8(18-14(15)16)11(17-7(3)20)13(23-10)12(22)9(21)5-19/h4,8-9,11-13,19,21-22H,1,5H2,2-3H3,(H,17,20)(H4,15,16,18)/t8-,9+,11+,12+,13+/m0/s1
InChIKey
UGGIFYKOPRSGKN-IINAIABHSA-N
Compound name
N-[(2R,3R,4S)-4-(diaminomethylideneamino)-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17468 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18196 181.5
[M+Na]+ 351.16390 182.5
[M-H]- 327.16740 181.4
[M+NH4]+ 346.20850 190.5
[M+K]+ 367.13784 182.8
[M+H-H2O]+ 311.17194 173.6
[M+HCOO]- 373.17288 196.7
[M+CH3COO]- 387.18853 218.9
[M+Na-2H]- 349.14935 175.9
[M]+ 328.17413 175.0
[M]- 328.17523 175.0
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.