CID 129076809

N-boc norfentanyl

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CCC(=O)N(C1CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2
InChI
InChI=1S/C19H28N2O3/c1-5-17(22)21(15-9-7-6-8-10-15)16-11-13-20(14-12-16)18(23)24-19(2,3)4/h6-10,16H,5,11-14H2,1-4H3
InChIKey
UAGLVIIAMZPKIK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

332.21 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.217276 181.3
[M+Na]+ 355.199218 183.3
[M-H]- 331.202724 186.5
[M+NH4]+ 350.243823 193.6
[M+K]+ 371.173158 182.3
[M+H-H2O]+ 315.207260 172.5
[M+HCOO]- 377.208201 197.4
[M+CH3COO]- 391.223851 214.1
[M+Na-2H]- 353.184666 181.6
[M]+ 332.20945142 180.2
[M]- 332.21054858 180.2
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