CID 15497

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

Structural Information

Molecular Formula
C17H28N2O
SMILES
CC1C=C(C=C(N(C1=O)CCCN2CCCCC2)C)C
InChI
InChI=1S/C17H28N2O/c1-14-12-15(2)17(20)19(16(3)13-14)11-7-10-18-8-5-4-6-9-18/h12-13,15H,4-11H2,1-3H3
InChIKey
ZLJVZJCYDIVNIN-UHFFFAOYSA-N
Compound name
3,5,7-trimethyl-1-(3-piperidin-1-ylpropyl)-3H-azepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 169.0
[M+Na]+ 299.20937 179.1
[M+NH4]+ 294.25397 175.5
[M+K]+ 315.18331 173.1
[M-H]- 275.21287 171.5
[M+Na-2H]- 297.19482 173.6
[M]+ 276.21960 171.1
[M]- 276.22070 171.1
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