CID 3047624

Benzeneacetamide, alpha-(2,6-dimethylphenyl)-2,6-dimethyl-n-(2-(1-piperidinyl)ethyl)-

Structural Information

Molecular Formula
C25H34N2O
SMILES
CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)C(=O)NCCN3CCCCC3
InChI
InChI=1S/C25H34N2O/c1-18-10-8-11-19(2)22(18)24(23-20(3)12-9-13-21(23)4)25(28)26-14-17-27-15-6-5-7-16-27/h8-13,24H,5-7,14-17H2,1-4H3,(H,26,28)
InChIKey
RMAZQMMFCWSVNB-UHFFFAOYSA-N
Compound name
2,2-bis(2,6-dimethylphenyl)-N-(2-piperidin-1-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.26712 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.27440 197.7
[M+Na]+ 401.25634 200.2
[M-H]- 377.25984 204.5
[M+NH4]+ 396.30094 207.6
[M+K]+ 417.23028 194.6
[M+H-H2O]+ 361.26438 187.0
[M+HCOO]- 423.26532 213.3
[M+CH3COO]- 437.28097 226.3
[M+Na-2H]- 399.24179 194.6
[M]+ 378.26657 194.4
[M]- 378.26767 194.4
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.