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 165.5
[M+Na]+ 299.20937 169.3
[M-H]- 275.21287 169.5
[M+NH4]+ 294.25397 178.4
[M+K]+ 315.18331 169.9
[M+H-H2O]+ 259.21741 156.6
[M+HCOO]- 321.21835 180.4
[M+CH3COO]- 335.23400 204.0
[M+Na-2H]- 297.19482 165.1
[M]+ 276.21960 160.3
[M]- 276.22070 160.3
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