CID 60698

Mirfentanil

Structural Information

Molecular Formula
C22H24N4O2
SMILES
C1CN(CCC1N(C2=NC=CN=C2)C(=O)C3=CC=CO3)CCC4=CC=CC=C4
InChI
InChI=1S/C22H24N4O2/c27-22(20-7-4-16-28-20)26(21-17-23-11-12-24-21)19-9-14-25(15-10-19)13-8-18-5-2-1-3-6-18/h1-7,11-12,16-17,19H,8-10,13-15H2
InChIKey
BJZZDOLVVLWFHN-UHFFFAOYSA-N
Compound name
N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

1133
Patents

376.1899 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.197176 189.5
[M+Na]+ 399.179118 191.9
[M-H]- 375.182624 198.6
[M+NH4]+ 394.223723 196.1
[M+K]+ 415.153058 188.4
[M+H-H2O]+ 359.187160 176.4
[M+HCOO]- 421.188101 206.1
[M+CH3COO]- 435.203751 197.4
[M+Na-2H]- 397.164566 190.6
[M]+ 376.18935142 186.7
[M]- 376.19044858 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe