CID 51039126

Fenpicoxamid

Structural Information

Molecular Formula
C31H38N2O11
SMILES
C[C@H]1[C@@H]([C@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=NC=CC(=C2OCOC(=O)C(C)C)OC)CC3=CC=CC=C3)OC(=O)C(C)C
InChI
InChI=1S/C31H38N2O11/c1-17(2)28(35)42-16-41-26-23(39-6)12-13-32-24(26)27(34)33-22-15-40-30(37)21(14-20-10-8-7-9-11-20)25(19(5)43-31(22)38)44-29(36)18(3)4/h7-13,17-19,21-22,25H,14-16H2,1-6H3,(H,33,34)/t19-,21+,22-,25-/m0/s1
InChIKey
QGTOTYJSCYHYFK-RBODFLQRSA-N
Compound name
[2-[[(3S,7R,8R,9S)-7-benzyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-dioxo-1,5-dioxonan-3-yl]carbamoyl]-4-methoxypyridin-3-yl]oxymethyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

5202
Patents

614.24756 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.25484 229.1
[M+Na]+ 637.23678 229.7
[M+NH4]+ 632.28138 228.4
[M+K]+ 653.21072 226.8
[M-H]- 613.24028 229.2
[M+Na-2H]- 635.22223 225.4
[M]+ 614.24701 229.3
[M]- 614.24811 229.3
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

patents stripe