CID 41693

Sufentanil

Structural Information

Molecular Formula
C22H30N2O2S
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC
InChI
InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
InChIKey
GGCSSNBKKAUURC-UHFFFAOYSA-N
Compound name
N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2955
References

31379
Patents

386.2028 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21008 193.0
[M+Na]+ 409.19202 202.7
[M+NH4]+ 404.23662 202.1
[M+K]+ 425.16596 193.2
[M-H]- 385.19552 198.4
[M+Na-2H]- 407.17747 201.5
[M]+ 386.20225 196.4
[M]- 386.20335 196.4
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