CID 93808

Morpholine, 4-(2,6-dibutoxyisonicotinoyl)-

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CCCCOC1=CC(=CC(=N1)OCCCC)C(=O)N2CCOCC2
InChI
InChI=1S/C18H28N2O4/c1-3-5-9-23-16-13-15(14-17(19-16)24-10-6-4-2)18(21)20-7-11-22-12-8-20/h13-14H,3-12H2,1-2H3
InChIKey
QYQUSDHCFRWLMV-UHFFFAOYSA-N
Compound name
(2,6-dibutoxypyridin-4-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 183.2
[M+Na]+ 359.19412 186.6
[M-H]- 335.19762 186.1
[M+NH4]+ 354.23872 192.4
[M+K]+ 375.16806 185.2
[M+H-H2O]+ 319.20216 172.8
[M+HCOO]- 381.20310 198.3
[M+CH3COO]- 395.21875 210.3
[M+Na-2H]- 357.17957 184.3
[M]+ 336.20435 186.1
[M]- 336.20545 186.1
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.