PubChemLite - Revefenacin (C35H43N5O4)

Structural Information

Molecular Formula

SMILES

CN(CCN1CCC(CC1)OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)CN5CCC(CC5)C(=O)N

InChI

InChI=1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43)

InChIKey

FYDWDCIFZSGNBU-UHFFFAOYSA-N

Compound name

[1-[2-[[4-[(4-carbamoylpiperidin-1-yl)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

Related CIDs

2D Structure

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]+	598.33878	245.5
[M+Na]+	620.32072	254.2
[M+NH4]+	615.36532	248.9
[M+K]+	636.29466	247.7
[M-H]-	596.32422	254.2
[M+Na-2H]-	618.30617	253.0
[M]+	597.33095	248.6
[M]-	597.33205	248.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

598.33878

245.5

[M+Na]+

620.32072

254.2

[M+NH4]+

615.36532

248.9

[M+K]+

636.29466

247.7

[M-H]-

596.32422

254.2

[M+Na-2H]-

618.30617

253.0

[M]+

597.33095

248.6

[M]-

597.33205

248.6

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

Revefenacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe