CID 15916

2h-azepin-2-one, 1,3-dihydro-1-(2-diethylaminoethyl)-3,5,7-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C15H26N2O
SMILES
CCN(CC)CCN1C(=CC(=CC(C1=O)C)C)C
InChI
InChI=1S/C15H26N2O/c1-6-16(7-2)8-9-17-14(5)11-12(3)10-13(4)15(17)18/h10-11,13H,6-9H2,1-5H3
InChIKey
YHGBLDSNMDEQDX-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-3,5,7-trimethyl-3H-azepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.20451 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.211786 155.2
[M+Na]+ 273.193728 160.5
[M-H]- 249.197234 160.0
[M+NH4]+ 268.238333 171.3
[M+K]+ 289.167668 163.8
[M+H-H2O]+ 233.201770 148.2
[M+HCOO]- 295.202711 176.2
[M+CH3COO]- 309.218361 206.9
[M+Na-2H]- 271.179176 156.2
[M]+ 250.20396142 155.9
[M]- 250.20505858 155.9
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