CID 506014

Carboxamide deriv. 4l

Structural Information

Molecular Formula
C15H23N3O5
SMILES
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1C(=O)NC2CCCCC2)C(=O)O)N
InChI
InChI=1S/C15H23N3O5/c1-8(19)17-12-10(16)7-11(15(21)22)23-13(12)14(20)18-9-5-3-2-4-6-9/h7,9-10,12-13H,2-6,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t10-,12+,13+/m0/s1
InChIKey
QICFFMYGGKUOPM-CYZMBNFOSA-N
Compound name
(2R,3R,4S)-3-acetamido-4-amino-2-(cyclohexylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.16376 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17104 176.4
[M+Na]+ 348.15298 177.0
[M-H]- 324.15648 180.5
[M+NH4]+ 343.19758 186.5
[M+K]+ 364.12692 176.7
[M+H-H2O]+ 308.16102 168.3
[M+HCOO]- 370.16196 191.7
[M+CH3COO]- 384.17761 213.7
[M+Na-2H]- 346.13843 174.3
[M]+ 325.16321 168.7
[M]- 325.16431 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.