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]+ 251.21179 155.2
[M+Na]+ 273.19373 160.5
[M-H]- 249.19723 160.0
[M+NH4]+ 268.23833 171.3
[M+K]+ 289.16767 163.8
[M+H-H2O]+ 233.20177 148.2
[M+HCOO]- 295.20271 176.2
[M+CH3COO]- 309.21836 206.9
[M+Na-2H]- 271.17918 156.2
[M]+ 250.20396 155.9
[M]- 250.20506 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