CID 3043292

55315-91-8

Structural Information

Molecular Formula
C19H21N3O6
SMILES
C1COCCN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CN=CC=C3
InChI
InChI=1S/C19H21N3O6/c23-19(15-2-1-7-20-12-15)28-18(13-21-8-10-26-11-9-21)14-27-17-5-3-16(4-6-17)22(24)25/h1-7,12,18H,8-11,13-14H2
InChIKey
PDENKPFGQMUZTH-UHFFFAOYSA-N
Compound name
[1-morpholin-4-yl-3-(4-nitrophenoxy)propan-2-yl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.14304 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15032 186.3
[M+Na]+ 410.13226 198.3
[M+NH4]+ 405.17686 191.1
[M+K]+ 426.10620 196.1
[M-H]- 386.13576 191.9
[M+Na-2H]- 408.11771 192.9
[M]+ 387.14249 189.2
[M]- 387.14359 189.2
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.