CID 68504599

Isobutyryl norfentanyl

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

246.17322 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.180496 159.8
[M+Na]+ 269.162438 161.4
[M-H]- 245.165944 163.5
[M+NH4]+ 264.207043 174.4
[M+K]+ 285.136378 159.2
[M+H-H2O]+ 229.170480 151.2
[M+HCOO]- 291.171421 176.6
[M+CH3COO]- 305.187071 196.7
[M+Na-2H]- 267.147886 161.2
[M]+ 246.17267142 153.5
[M]- 246.17376858 153.5
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