CID 506008

Carboxamide deriv. 4a

Structural Information

Molecular Formula
C11H18N4O5
SMILES
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1C(=O)NCCN)C(=O)O)N
InChI
InChI=1S/C11H18N4O5/c1-5(16)15-8-6(13)4-7(11(18)19)20-9(8)10(17)14-3-2-12/h4,6,8-9H,2-3,12-13H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t6-,8+,9+/m0/s1
InChIKey
BONXXVHMSQVAOC-NBEYISGCSA-N
Compound name
(2R,3R,4S)-3-acetamido-4-amino-2-(2-aminoethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.12772 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13500 166.4
[M+Na]+ 309.11694 169.5
[M-H]- 285.12044 168.0
[M+NH4]+ 304.16154 178.0
[M+K]+ 325.09088 169.8
[M+H-H2O]+ 269.12498 158.5
[M+HCOO]- 331.12592 186.1
[M+CH3COO]- 345.14157 209.7
[M+Na-2H]- 307.10239 165.3
[M]+ 286.12717 161.9
[M]- 286.12827 161.9
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.