CID 3050679

2-(morpholinocarbonyl)veratraldehyde

Structural Information

Molecular Formula
C14H17NO5
SMILES
COC1=C(C(=C(C=C1)C=O)C(=O)N2CCOCC2)OC
InChI
InChI=1S/C14H17NO5/c1-18-11-4-3-10(9-16)12(13(11)19-2)14(17)15-5-7-20-8-6-15/h3-4,9H,5-8H2,1-2H3
InChIKey
OMJHUXIWUXDYAO-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-2-(morpholine-4-carbonyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1107 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 162.2
[M+Na]+ 302.09992 174.0
[M+NH4]+ 297.14452 168.2
[M+K]+ 318.07386 169.4
[M-H]- 278.10342 165.1
[M+Na-2H]- 300.08537 166.8
[M]+ 279.11015 164.5
[M]- 279.11125 164.5
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.