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-dibutoxy-4-pyridinyl)-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]+ 337.212176 183.2
[M+Na]+ 359.194118 186.6
[M-H]- 335.197624 186.1
[M+NH4]+ 354.238723 192.4
[M+K]+ 375.168058 185.2
[M+H-H2O]+ 319.202160 172.8
[M+HCOO]- 381.203101 198.3
[M+CH3COO]- 395.218751 210.3
[M+Na-2H]- 357.179566 184.3
[M]+ 336.20435142 186.1
[M]- 336.20544858 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.