CID 15495

1676-45-5

Structural Information

Molecular Formula
C17H28N2O
SMILES
CC1C=C(C=C(N(C1=O)CCN2CCCCCC2)C)C
InChI
InChI=1S/C17H28N2O/c1-14-12-15(2)17(20)19(16(3)13-14)11-10-18-8-6-4-5-7-9-18/h12-13,15H,4-11H2,1-3H3
InChIKey
MWNDVYVAKSSJJT-UHFFFAOYSA-N
Compound name
1-[2-(azepan-1-yl)ethyl]-3,5,7-trimethyl-3H-azepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.22015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.22743 174.6
[M+Na]+ 299.20937 180.8
[M+NH4]+ 294.25397 179.1
[M+K]+ 315.18331 177.3
[M-H]- 275.21287 176.0
[M+Na-2H]- 297.19482 177.5
[M]+ 276.21960 175.8
[M]- 276.22070 175.8
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.