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]+ 293.149576 167.3
[M+Na]+ 315.131518 174.1
[M-H]- 291.135024 171.0
[M+NH4]+ 310.176123 180.1
[M+K]+ 331.105458 171.9
[M+H-H2O]+ 275.139560 158.2
[M+HCOO]- 337.140501 184.5
[M+CH3COO]- 351.156151 203.0
[M+Na-2H]- 313.116966 168.0
[M]+ 292.14175142 168.7
[M]- 292.14284858 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.