CID 505950

Carboxamide deriv. 4i

Structural Information

Molecular Formula
C17H29N3O5
SMILES
CCCCN(CCCC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C
InChI
InChI=1S/C17H29N3O5/c1-4-6-8-20(9-7-5-2)16(22)15-14(19-11(3)21)12(18)10-13(25-15)17(23)24/h10,12,14-15H,4-9,18H2,1-3H3,(H,19,21)(H,23,24)/t12-,14+,15+/m0/s1
InChIKey
RFONMZKOXSGBKR-NWANDNLSSA-N
Compound name
(2R,3R,4S)-3-acetamido-4-amino-2-(dibutylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

355.21072 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.21800 189.5
[M+Na]+ 378.19994 191.2
[M-H]- 354.20344 192.1
[M+NH4]+ 373.24454 199.7
[M+K]+ 394.17388 191.8
[M+H-H2O]+ 338.20798 181.3
[M+HCOO]- 400.20892 207.5
[M+CH3COO]- 414.22457 225.4
[M+Na-2H]- 376.18539 185.6
[M]+ 355.21017 190.3
[M]- 355.21127 190.3
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.