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

1
Patents

309.16885 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.17613 173.1
[M+Na]+ 332.15807 178.7
[M-H]- 308.16157 176.7
[M+NH4]+ 327.20267 185.0
[M+K]+ 348.13201 177.1
[M+H-H2O]+ 292.16611 163.6
[M+HCOO]- 354.16705 191.1
[M+CH3COO]- 368.18270 208.3
[M+Na-2H]- 330.14352 174.2
[M]+ 309.16830 174.3
[M]- 309.16940 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