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]+ 394.285276 202.6
[M+Na]+ 416.267218 206.0
[M-H]- 392.270724 208.4
[M+NH4]+ 411.311823 210.7
[M+K]+ 432.241158 200.2
[M+H-H2O]+ 376.275260 191.2
[M+HCOO]- 438.276201 216.8
[M+CH3COO]- 452.291851 230.2
[M+Na-2H]- 414.252666 198.9
[M]+ 393.27745142 200.2
[M]- 393.27854858 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.