CID 3051889

1-piperazinecarboxamide, 4-methyl-n-(3,4,5-trimethoxyphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CN1CCN(CC1)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C15H23N3O4/c1-17-5-7-18(8-6-17)15(19)16-11-9-12(20-2)14(22-4)13(10-11)21-3/h9-10H,5-8H2,1-4H3,(H,16,19)
InChIKey
LKSWWMGQQWDWCI-UHFFFAOYSA-N
Compound name
4-methyl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.16885 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.176126 173.1
[M+Na]+ 332.158068 178.7
[M-H]- 308.161574 176.7
[M+NH4]+ 327.202673 185.0
[M+K]+ 348.132008 177.1
[M+H-H2O]+ 292.166110 163.6
[M+HCOO]- 354.167051 191.1
[M+CH3COO]- 368.182701 208.3
[M+Na-2H]- 330.143516 174.2
[M]+ 309.16830142 174.3
[M]- 309.16939858 174.3
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