CID 51263

Alfentanil

Structural Information

Molecular Formula
C21H32N6O3
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC
InChI
InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
InChIKey
IDBPHNDTYPBSNI-UHFFFAOYSA-N
Compound name
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2217
References

24110
Patents

416.2536 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.26088 198.9
[M+Na]+ 439.24282 208.8
[M+NH4]+ 434.28742 203.5
[M+K]+ 455.21676 203.8
[M-H]- 415.24632 200.4
[M+Na-2H]- 437.22827 205.3
[M]+ 416.25305 200.4
[M]- 416.25415 200.4
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