CID 60815

Remifentanil

Structural Information

Molecular Formula
C20H28N2O5
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC
InChI
InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3
InChIKey
ZTVQQQVZCWLTDF-UHFFFAOYSA-N
Compound name
methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

5094
References

15971
Patents

376.19983 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.20711 189.7
[M+Na]+ 399.18905 191.5
[M-H]- 375.19255 194.7
[M+NH4]+ 394.23365 201.6
[M+K]+ 415.16299 191.5
[M+H-H2O]+ 359.19709 180.7
[M+HCOO]- 421.19803 206.6
[M+CH3COO]- 435.21368 221.2
[M+Na-2H]- 397.17450 189.0
[M]+ 376.19928 191.4
[M]- 376.20038 191.4
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.