CID 104587

Brn 1651894

Structural Information

Molecular Formula
C21H38N2O
SMILES
CCCCC1=CC(N(C(C1)(C)C)C(=O)CN2CCCCCC2)(C)C
InChI
InChI=1S/C21H38N2O/c1-6-7-12-18-15-20(2,3)23(21(4,5)16-18)19(24)17-22-13-10-8-9-11-14-22/h15H,6-14,16-17H2,1-5H3
InChIKey
LCIYPQCPCSHMJD-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-1-(4-butyl-2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2984 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.30568 180.4
[M+Na]+ 357.28762 182.4
[M-H]- 333.29112 183.7
[M+NH4]+ 352.33222 194.4
[M+K]+ 373.26156 182.5
[M+H-H2O]+ 317.29566 171.4
[M+HCOO]- 379.29660 191.7
[M+CH3COO]- 393.31225 213.9
[M+Na-2H]- 355.27307 178.9
[M]+ 334.29785 174.6
[M]- 334.29895 174.6
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.