CID 10658099

Butyryl norfentanyl

Structural Information

Molecular Formula
C15H22N2O
SMILES
CCCC(=O)N(C1CCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C15H22N2O/c1-2-6-15(18)17(13-7-4-3-5-8-13)14-9-11-16-12-10-14/h3-5,7-8,14,16H,2,6,9-12H2,1H3
InChIKey
GOXLPDTZAWMNTG-UHFFFAOYSA-N
Compound name
N-phenyl-N-piperidin-4-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

246.17322 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.180496 159.7
[M+Na]+ 269.162438 161.6
[M-H]- 245.165944 163.3
[M+NH4]+ 264.207043 174.4
[M+K]+ 285.136378 158.8
[M+H-H2O]+ 229.170480 150.9
[M+HCOO]- 291.171421 177.6
[M+CH3COO]- 305.187071 195.8
[M+Na-2H]- 267.147886 162.3
[M]+ 246.17267142 154.0
[M]- 246.17376858 154.0
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