CID 19841192

1-(2,3,4-trimethoxybenzoyl)piperazine

Structural Information

Molecular Formula
C14H20N2O4
SMILES
COC1=C(C(=C(C=C1)C(=O)N2CCNCC2)OC)OC
InChI
InChI=1S/C14H20N2O4/c1-18-11-5-4-10(12(19-2)13(11)20-3)14(17)16-8-6-15-7-9-16/h4-5,15H,6-9H2,1-3H3
InChIKey
RSGDCVBOCSMOCN-UHFFFAOYSA-N
Compound name
piperazin-1-yl-(2,3,4-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.1423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 165.0
[M+Na]+ 303.13152 170.5
[M-H]- 279.13502 167.0
[M+NH4]+ 298.17612 177.3
[M+K]+ 319.10546 168.3
[M+H-H2O]+ 263.13956 156.0
[M+HCOO]- 325.14050 180.8
[M+CH3COO]- 339.15615 197.1
[M+Na-2H]- 301.11697 166.4
[M]+ 280.14175 164.4
[M]- 280.14285 164.4
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