PubChemLite - Mpeg4-o-delavirdine (C30H43N5O6)

Structural Information

Molecular Formula

SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)OCCOCCOCCOCCOC

InChI

InChI=1S/C30H43N5O6/c1-23(2)32-27-5-4-8-31-29(27)34-9-11-35(12-10-34)30(36)28-22-24-21-25(6-7-26(24)33-28)41-20-19-40-18-17-39-16-15-38-14-13-37-3/h4-8,21-23,32-33H,9-20H2,1-3H3

InChIKey

RZTZDYKCDXEAID-UHFFFAOYSA-N

Compound name

[5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone

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]+	570.32863	235.1
[M+Na]+	592.31057	234.8
[M-H]-	568.31407	237.4
[M+NH4]+	587.35517	234.0
[M+K]+	608.28451	230.6
[M+H-H2O]+	552.31861	221.3
[M+HCOO]-	614.31955	245.9
[M+CH3COO]-	628.33520	253.8
[M+Na-2H]-	590.29602	232.2
[M]+	569.32080	240.5
[M]-	569.32190	240.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

570.32863

235.1

[M+Na]+

592.31057

234.8

[M-H]-

568.31407

237.4

[M+NH4]+

587.35517

234.0

[M+K]+

608.28451

230.6

[M+H-H2O]+

552.31861

221.3

[M+HCOO]-

614.31955

245.9

[M+CH3COO]-

628.33520

253.8

[M+Na-2H]-

590.29602

232.2

[M]+

569.32080

240.5

[M]-

569.32190

240.5

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

Mpeg4-o-delavirdine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe