CID 104591

Brn 1261070

Structural Information

Molecular Formula
C21H32N2O
SMILES
CCCCNCC(=O)N1C(CC(=CC1(C)C)C2=CC=CC=C2)(C)C
InChI
InChI=1S/C21H32N2O/c1-6-7-13-22-16-19(24)23-20(2,3)14-18(15-21(23,4)5)17-11-9-8-10-12-17/h8-12,14,22H,6-7,13,15-16H2,1-5H3
InChIKey
SBEQUPBZKBGVHE-UHFFFAOYSA-N
Compound name
2-(butylamino)-1-(2,2,6,6-tetramethyl-4-phenyl-3H-pyridin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.25146 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.25874 182.9
[M+Na]+ 351.24068 194.6
[M+NH4]+ 346.28528 192.8
[M+K]+ 367.21462 182.9
[M-H]- 327.24418 186.9
[M+Na-2H]- 349.22613 191.9
[M]+ 328.25091 186.0
[M]- 328.25201 186.0
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.