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

1115
Patents

376.1899 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 189.5
[M+Na]+ 399.17912 191.9
[M-H]- 375.18262 198.6
[M+NH4]+ 394.22372 196.1
[M+K]+ 415.15306 188.4
[M+H-H2O]+ 359.18716 176.4
[M+HCOO]- 421.18810 206.1
[M+CH3COO]- 435.20375 197.4
[M+Na-2H]- 397.16457 190.6
[M]+ 376.18935 186.7
[M]- 376.19045 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.