CID 3078506

4-methyl-n-(2,4,6-trimethylphenyl)-1-piperazinebutanamide dihydrochloride

Structural Information

Molecular Formula
C18H29N3O
SMILES
CC1CN(CCN1CCCC(=O)N)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C18H29N3O/c1-13-10-14(2)18(15(3)11-13)21-9-8-20(16(4)12-21)7-5-6-17(19)22/h10-11,16H,5-9,12H2,1-4H3,(H2,19,22)
InChIKey
IMERPYXBNWRPFV-UHFFFAOYSA-N
Compound name
4-[2-methyl-4-(2,4,6-trimethylphenyl)piperazin-1-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.23105 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.23833 177.8
[M+Na]+ 326.22027 189.2
[M+NH4]+ 321.26487 184.3
[M+K]+ 342.19421 182.4
[M-H]- 302.22377 180.9
[M+Na-2H]- 324.20572 181.9
[M]+ 303.23050 180.1
[M]- 303.23160 180.1
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.