CID 3038996

42045-99-8

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCC(=O)N(C1CC(N(CC1C)C)C)C2=CC=CC=C2
InChI
InChI=1S/C17H26N2O/c1-5-17(20)19(15-9-7-6-8-10-15)16-11-14(3)18(4)12-13(16)2/h6-10,13-14,16H,5,11-12H2,1-4H3
InChIKey
UZMRWXDSDMRMNW-UHFFFAOYSA-N
Compound name
N-phenyl-N-(1,2,5-trimethylpiperidin-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 167.9
[M+Na]+ 297.19372 172.2
[M-H]- 273.19722 173.7
[M+NH4]+ 292.23832 183.2
[M+K]+ 313.16766 169.9
[M+H-H2O]+ 257.20176 159.2
[M+HCOO]- 319.20270 186.5
[M+CH3COO]- 333.21835 207.9
[M+Na-2H]- 295.17917 167.7
[M]+ 274.20395 166.0
[M]- 274.20505 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.