CID 2849819

4-tert-butyl-n-[2,2,2-trichloro-1-(4-methylpiperidin-1-yl)ethyl]benzamide

Structural Information

Molecular Formula
C19H27Cl3N2O
SMILES
CC1CCN(CC1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C19H27Cl3N2O/c1-13-9-11-24(12-10-13)17(19(20,21)22)23-16(25)14-5-7-15(8-6-14)18(2,3)4/h5-8,13,17H,9-12H2,1-4H3,(H,23,25)
InChIKey
BJLZUAVCKDWWJP-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-[2,2,2-trichloro-1-(4-methylpiperidin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1189 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.12618 193.6
[M+Na]+ 427.10812 197.9
[M-H]- 403.11162 196.1
[M+NH4]+ 422.15272 204.5
[M+K]+ 443.08206 191.6
[M+H-H2O]+ 387.11616 187.3
[M+HCOO]- 449.11710 192.3
[M+CH3COO]- 463.13275 221.7
[M+Na-2H]- 425.09357 192.4
[M]+ 404.11835 193.0
[M]- 404.11945 193.0
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.