CID 162172

Noralfentanil

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCNCC2)COC
InChI
InChI=1S/C16H24N2O2/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h4-8,17H,3,9-13H2,1-2H3
InChIKey
ULOZGJWEIWAWML-UHFFFAOYSA-N
Compound name
N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

72
Patents

276.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.4
[M+Na]+ 299.17300 169.8
[M-H]- 275.17650 171.2
[M+NH4]+ 294.21760 182.9
[M+K]+ 315.14694 167.7
[M+H-H2O]+ 259.18104 158.9
[M+HCOO]- 321.18198 185.1
[M+CH3COO]- 335.19763 200.4
[M+Na-2H]- 297.15845 170.5
[M]+ 276.18323 163.8
[M]- 276.18433 163.8
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

No patent data available for this compound.