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

13
Patents

280.1423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.149576 165.0
[M+Na]+ 303.131518 170.5
[M-H]- 279.135024 167.0
[M+NH4]+ 298.176123 177.3
[M+K]+ 319.105458 168.3
[M+H-H2O]+ 263.139560 156.0
[M+HCOO]- 325.140501 180.8
[M+CH3COO]- 339.156151 197.1
[M+Na-2H]- 301.116966 166.4
[M]+ 280.14175142 164.4
[M]- 280.14284858 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