CID 3078510

121513-33-5

Structural Information

Molecular Formula
C22H29N3O
SMILES
CC1=CC(=C(C(=C1)C)N2CCN(C(C2)CC3=CC=CC=C3)CC(=O)N)C
InChI
InChI=1S/C22H29N3O/c1-16-11-17(2)22(18(3)12-16)25-10-9-24(15-21(23)26)20(14-25)13-19-7-5-4-6-8-19/h4-8,11-12,20H,9-10,13-15H2,1-3H3,(H2,23,26)
InChIKey
JVHPOTWMWAKSFT-UHFFFAOYSA-N
Compound name
2-[2-benzyl-4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 190.5
[M+Na]+ 374.22027 195.5
[M-H]- 350.22377 196.3
[M+NH4]+ 369.26487 200.1
[M+K]+ 390.19421 189.4
[M+H-H2O]+ 334.22831 179.5
[M+HCOO]- 396.22925 206.1
[M+CH3COO]- 410.24490 220.6
[M+Na-2H]- 372.20572 188.4
[M]+ 351.23050 186.7
[M]- 351.23160 186.7
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.