PubChemLite - Mpeg6-o-delavirdine (C34H51N5O8)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C34H51N5O8/c1-27(2)36-31-5-4-8-35-33(31)38-9-11-39(12-10-38)34(40)32-26-28-25-29(6-7-30(28)37-32)47-24-23-46-22-21-45-20-19-44-18-17-43-16-15-42-14-13-41-3/h4-8,25-27,36-37H,9-24H2,1-3H3

InChIKey

HQTYDEZSQMESOV-UHFFFAOYSA-N

Compound name

[5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]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]+	658.38108	251.8
[M+Na]+	680.36302	248.7
[M-H]-	656.36652	253.2
[M+NH4]+	675.40762	246.7
[M+K]+	696.33696	245.9
[M+H-H2O]+	640.37106	237.1
[M+HCOO]-	702.37200	261.4
[M+CH3COO]-	716.38765	268.6
[M+Na-2H]-	678.34847	248.1
[M]+	657.37325	261.0
[M]-	657.37435	261.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

658.38108

251.8

[M+Na]+

680.36302

248.7

[M-H]-

656.36652

253.2

[M+NH4]+

675.40762

246.7

[M+K]+

696.33696

245.9

[M+H-H2O]+

640.37106

237.1

[M+HCOO]-

702.37200

261.4

[M+CH3COO]-

716.38765

268.6

[M+Na-2H]-

678.34847

248.1

[M]+

657.37325

261.0

[M]-

657.37435

261.0

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

Mpeg6-o-delavirdine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe