CID 3047625

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

Structural Information

Molecular Formula
C25H35N3O
SMILES
CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)C(=O)NCCN3CCN(CC3)C
InChI
InChI=1S/C25H35N3O/c1-18-8-6-9-19(2)22(18)24(23-20(3)10-7-11-21(23)4)25(29)26-12-13-28-16-14-27(5)15-17-28/h6-11,24H,12-17H2,1-5H3,(H,26,29)
InChIKey
MQEXIDIEMHHWBT-UHFFFAOYSA-N
Compound name
2,2-bis(2,6-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.278 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.28528 202.6
[M+Na]+ 416.26722 206.0
[M-H]- 392.27072 208.4
[M+NH4]+ 411.31182 210.7
[M+K]+ 432.24116 200.2
[M+H-H2O]+ 376.27526 191.2
[M+HCOO]- 438.27620 216.8
[M+CH3COO]- 452.29185 230.2
[M+Na-2H]- 414.25267 198.9
[M]+ 393.27745 200.2
[M]- 393.27855 200.2
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.