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]+ 249.19614 156.9
[M+Na]+ 271.17808 162.3
[M-H]- 247.18158 161.7
[M+NH4]+ 266.22268 172.6
[M+K]+ 287.15202 162.7
[M+H-H2O]+ 231.18612 148.5
[M+HCOO]- 293.18706 174.5
[M+CH3COO]- 307.20271 198.0
[M+Na-2H]- 269.16353 155.9
[M]+ 248.18831 153.0
[M]- 248.18941 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