CID 3053965

1-piperazinecarboxamide, 4-(2-oxo-2-(1-piperidinyl)ethyl)-n-(3,4,5-trimethoxyphenyl)-monohydrochloride

Structural Information

Molecular Formula
C21H32N4O5
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCN(CC2)CC(=O)N3CCCCC3
InChI
InChI=1S/C21H32N4O5/c1-28-17-13-16(14-18(29-2)20(17)30-3)22-21(27)25-11-9-23(10-12-25)15-19(26)24-7-5-4-6-8-24/h13-14H,4-12,15H2,1-3H3,(H,22,27)
InChIKey
NQWHCQPXVRNRQY-UHFFFAOYSA-N
Compound name
4-(2-oxo-2-piperidin-1-ylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.23727 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.24455 202.2
[M+Na]+ 443.22649 202.9
[M-H]- 419.22999 205.8
[M+NH4]+ 438.27109 206.8
[M+K]+ 459.20043 200.7
[M+H-H2O]+ 403.23453 189.9
[M+HCOO]- 465.23547 213.0
[M+CH3COO]- 479.25112 227.9
[M+Na-2H]- 441.21194 199.1
[M]+ 420.23672 199.0
[M]- 420.23782 199.0
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.