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: 5070
References: 15697
Patents: 376.19983 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe