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]+ 277.227426 165.5
[M+Na]+ 299.209368 169.3
[M-H]- 275.212874 169.5
[M+NH4]+ 294.253973 178.4
[M+K]+ 315.183308 169.9
[M+H-H2O]+ 259.217410 156.6
[M+HCOO]- 321.218351 180.4
[M+CH3COO]- 335.234001 204.0
[M+Na-2H]- 297.194816 165.1
[M]+ 276.21960142 160.3
[M]- 276.22069858 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