PubChemLite - Rwj-68023 (C34H37Cl3N4O4)

Structural Information

Molecular Formula

SMILES

C1C[C@](C=C1CN(C2=CC(=CC=C2)OCCN3CCOCC3)C(=O)NC4=CC=CC=C4)(CC5=CC=CC=C5)NC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C34H37Cl3N4O4/c35-34(36,37)31(42)39-33(23-26-8-3-1-4-9-26)15-14-27(24-33)25-41(32(43)38-28-10-5-2-6-11-28)29-12-7-13-30(22-29)45-21-18-40-16-19-44-20-17-40/h1-13,22,24H,14-21,23,25H2,(H,38,43)(H,39,42)/t33-/m1/s1

InChIKey

DPBURRXPRULCQN-MGBGTMOVSA-N

Compound name

N-[(1R)-1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)-N-(phenylcarbamoyl)anilino]methyl]cyclopent-2-en-1-yl]-2,2,2-trichloroacetamide

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]+	671.19533	253.1
[M+Na]+	693.17727	252.1
[M-H]-	669.18077	264.4
[M+NH4]+	688.22187	253.6
[M+K]+	709.15121	248.0
[M+H-H2O]+	653.18531	241.0
[M+HCOO]-	715.18625	253.8
[M+CH3COO]-	729.20190	267.7
[M+Na-2H]-	691.16272	250.5
[M]+	670.18750	255.5
[M]-	670.18860	255.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

671.19533

253.1

[M+Na]+

693.17727

252.1

[M-H]-

669.18077

264.4

[M+NH4]+

688.22187

253.6

[M+K]+

709.15121

248.0

[M+H-H2O]+

653.18531

241.0

[M+HCOO]-

715.18625

253.8

[M+CH3COO]-

729.20190

267.7

[M+Na-2H]-

691.16272

250.5

[M]+

670.18750

255.5

[M]-

670.18860

255.5

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

Rwj-68023

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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