CID 3050678

2-(piperidinocarbonyl)veratraldehyde

Structural Information

Molecular Formula
C15H19NO4
SMILES
COC1=C(C(=C(C=C1)C=O)C(=O)N2CCCCC2)OC
InChI
InChI=1S/C15H19NO4/c1-19-12-7-6-11(10-17)13(14(12)20-2)15(18)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3
InChIKey
CARBIPLWQMUBMO-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-2-(piperidine-1-carbonyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 162.7
[M+Na]+ 300.12062 168.6
[M-H]- 276.12412 167.6
[M+NH4]+ 295.16522 177.3
[M+K]+ 316.09456 166.7
[M+H-H2O]+ 260.12866 154.4
[M+HCOO]- 322.12960 181.4
[M+CH3COO]- 336.14525 199.0
[M+Na-2H]- 298.10607 164.2
[M]+ 277.13085 163.2
[M]- 277.13195 163.2
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.