PubChemLite - Implitapide [inn] (C35H37N3O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC2=C1C3=CC=CC=C3N2CC4=CC(=CC=C4)[C@H](C5CCCC5)C(=O)N[C@@H](CO)C6=CC=CC=C6)C

InChI

InChI=1S/C35H37N3O2/c1-23-19-24(2)36-34-32(23)29-17-8-9-18-31(29)38(34)21-25-11-10-16-28(20-25)33(27-14-6-7-15-27)35(40)37-30(22-39)26-12-4-3-5-13-26/h3-5,8-13,16-20,27,30,33,39H,6-7,14-15,21-22H2,1-2H3,(H,37,40)/t30-,33-/m0/s1

InChIKey

AMNXBQPRODZJQR-DITALETJSA-N

Compound name

(2S)-2-cyclopentyl-2-[3-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

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]+	532.29588	234.8
[M+Na]+	554.27782	248.4
[M+NH4]+	549.32242	241.6
[M+K]+	570.25176	242.7
[M-H]-	530.28132	242.8
[M+Na-2H]-	552.26327	242.0
[M]+	531.28805	239.0
[M]-	531.28915	239.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

532.29588

234.8

[M+Na]+

554.27782

248.4

[M+NH4]+

549.32242

241.6

[M+K]+

570.25176

242.7

[M-H]-

530.28132

242.8

[M+Na-2H]-

552.26327

242.0

[M]+

531.28805

239.0

[M]-

531.28915

239.0

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

Implitapide [inn]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe