CID 3043291

55315-90-7

Structural Information

Molecular Formula
C19H21N3O6
SMILES
C1COCCN1CC(COC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CN=CC=C3
InChI
InChI=1S/C19H21N3O6/c23-19(15-4-3-7-20-12-15)28-16(13-21-8-10-26-11-9-21)14-27-18-6-2-1-5-17(18)22(24)25/h1-7,12,16H,8-11,13-14H2
InChIKey
JLENQDRPZANSLY-UHFFFAOYSA-N
Compound name
[1-morpholin-4-yl-3-(2-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 188.2
[M+Na]+ 410.13226 188.6
[M-H]- 386.13576 194.1
[M+NH4]+ 405.17686 192.7
[M+K]+ 426.10620 183.4
[M+H-H2O]+ 370.14030 180.6
[M+HCOO]- 432.14124 204.0
[M+CH3COO]- 446.15689 210.7
[M+Na-2H]- 408.11771 193.0
[M]+ 387.14249 185.8
[M]- 387.14359 185.8
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.