CID 15491

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

Structural Information

Molecular Formula
C15H24N2O
SMILES
CC1C=C(C=C(N(C1=O)CCN2CCCC2)C)C
InChI
InChI=1S/C15H24N2O/c1-12-10-13(2)15(18)17(14(3)11-12)9-8-16-6-4-5-7-16/h10-11,13H,4-9H2,1-3H3
InChIKey
SKXRMGYEBVAKTD-UHFFFAOYSA-N
Compound name
3,5,7-trimethyl-1-(2-pyrrolidin-1-ylethyl)-3H-azepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

248.18886 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 156.9
[M+Na]+ 271.178078 162.3
[M-H]- 247.181584 161.7
[M+NH4]+ 266.222683 172.6
[M+K]+ 287.152018 162.7
[M+H-H2O]+ 231.186120 148.5
[M+HCOO]- 293.187061 174.5
[M+CH3COO]- 307.202711 198.0
[M+Na-2H]- 269.163526 155.9
[M]+ 248.18831142 153.0
[M]- 248.18940858 153.0
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