CID 3051910

Piperazine, 1-methyl-4-(((3,4,5-trimethoxyphenyl)amino)acetyl)-

Structural Information

Molecular Formula
C16H25N3O4
SMILES
CN1CCN(CC1)C(=O)CNC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C16H25N3O4/c1-18-5-7-19(8-6-18)15(20)11-17-12-9-13(21-2)16(23-4)14(10-12)22-3/h9-10,17H,5-8,11H2,1-4H3
InChIKey
QRSJDWYYORJNSO-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyanilino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1845 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19178 177.2
[M+Na]+ 346.17372 182.3
[M-H]- 322.17722 180.6
[M+NH4]+ 341.21832 188.4
[M+K]+ 362.14766 180.5
[M+H-H2O]+ 306.18176 167.4
[M+HCOO]- 368.18270 194.9
[M+CH3COO]- 382.19835 211.9
[M+Na-2H]- 344.15917 177.9
[M]+ 323.18395 178.9
[M]- 323.18505 178.9
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.