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 181.3
[M+Na]+ 351.24068 186.8
[M-H]- 327.24418 186.0
[M+NH4]+ 346.28528 198.0
[M+K]+ 367.21462 182.8
[M+H-H2O]+ 311.24872 173.4
[M+HCOO]- 373.24966 199.7
[M+CH3COO]- 387.26531 215.2
[M+Na-2H]- 349.22613 183.3
[M]+ 328.25091 181.8
[M]- 328.25201 181.8
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.