CID 3047626

Benzeneacetamide, alpha-(2,6-dimethylphenyl)-n-(2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl)-2,6-dimethyl-

Structural Information

Molecular Formula
C26H37N3O2
SMILES
CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)C(=O)NCCN3CCN(CC3)CCO
InChI
InChI=1S/C26H37N3O2/c1-19-7-5-8-20(2)23(19)25(24-21(3)9-6-10-22(24)4)26(31)27-11-12-28-13-15-29(16-14-28)17-18-30/h5-10,25,30H,11-18H2,1-4H3,(H,27,31)
InChIKey
GOIKEJTYYZXPOT-UHFFFAOYSA-N
Compound name
2,2-bis(2,6-dimethylphenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.28857 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.29585 210.0
[M+Na]+ 446.27779 212.3
[M-H]- 422.28129 214.2
[M+NH4]+ 441.32239 216.0
[M+K]+ 462.25173 206.2
[M+H-H2O]+ 406.28583 198.6
[M+HCOO]- 468.28677 222.6
[M+CH3COO]- 482.30242 233.0
[M+Na-2H]- 444.26324 205.5
[M]+ 423.28802 207.5
[M]- 423.28912 207.5
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.