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 167.8
[M+Na]+ 299.20937 172.6
[M-H]- 275.21287 173.3
[M+NH4]+ 294.25397 179.2
[M+K]+ 315.18331 173.9
[M+H-H2O]+ 259.21741 160.3
[M+HCOO]- 321.21835 181.2
[M+CH3COO]- 335.23400 210.4
[M+Na-2H]- 297.19482 167.0
[M]+ 276.21960 161.2
[M]- 276.22070 161.2
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

patents stripe