CID 3050681

Brn 0818268

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CN1CCN(CC1)C(=O)C2=C(C=CC(=C2OC)OC)C=O
InChI
InChI=1S/C15H20N2O4/c1-16-6-8-17(9-7-16)15(19)13-11(10-18)4-5-12(20-2)14(13)21-3/h4-5,10H,6-9H2,1-3H3
InChIKey
RYGRXPUOLWAARY-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-2-(4-methylpiperazine-1-carbonyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 167.3
[M+Na]+ 315.13152 174.1
[M-H]- 291.13502 171.0
[M+NH4]+ 310.17612 180.1
[M+K]+ 331.10546 171.9
[M+H-H2O]+ 275.13956 158.2
[M+HCOO]- 337.14050 184.5
[M+CH3COO]- 351.15615 203.0
[M+Na-2H]- 313.11697 168.0
[M]+ 292.14175 168.7
[M]- 292.14285 168.7
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

No patent data available for this compound.