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
2
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]+ 333.21728 181.3
[M+Na]+ 355.19922 183.3
[M-H]- 331.20272 186.5
[M+NH4]+ 350.24382 193.6
[M+K]+ 371.17316 182.3
[M+H-H2O]+ 315.20726 172.5
[M+HCOO]- 377.20820 197.4
[M+CH3COO]- 391.22385 214.1
[M+Na-2H]- 353.18467 181.6
[M]+ 332.20945 180.2
[M]- 332.21055 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

No patent data available for this compound.