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 161.5
[M+Na]+ 302.09992 167.8
[M-H]- 278.10342 167.2
[M+NH4]+ 297.14452 174.6
[M+K]+ 318.07386 167.7
[M+H-H2O]+ 262.10796 153.1
[M+HCOO]- 324.10890 179.7
[M+CH3COO]- 338.12455 198.4
[M+Na-2H]- 300.08537 164.3
[M]+ 279.11015 163.7
[M]- 279.11125 163.7
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

patents stripe