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

16126
Patents

376.19983 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.207106 189.7
[M+Na]+ 399.189048 191.5
[M-H]- 375.192554 194.7
[M+NH4]+ 394.233653 201.6
[M+K]+ 415.162988 191.5
[M+H-H2O]+ 359.197090 180.7
[M+HCOO]- 421.198031 206.6
[M+CH3COO]- 435.213681 221.2
[M+Na-2H]- 397.174496 189.0
[M]+ 376.19928142 191.4
[M]- 376.20037858 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

literature stripe

Patent stripe

patents stripe