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 178.5
[M+Na]+ 326.22027 184.1
[M-H]- 302.22377 181.4
[M+NH4]+ 321.26487 190.8
[M+K]+ 342.19421 179.6
[M+H-H2O]+ 286.22831 169.3
[M+HCOO]- 348.22925 194.2
[M+CH3COO]- 362.24490 212.8
[M+Na-2H]- 324.20572 176.0
[M]+ 303.23050 176.1
[M]- 303.23160 176.1
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.