PubChemLite - Ridaifen-b (C34H42N2O2)

Structural Information

Molecular Formula

SMILES

CCC(=C(C1=CC=C(C=C1)OCCN2CCCC2)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C34H42N2O2/c1-2-33(28-10-4-3-5-11-28)34(29-12-16-31(17-13-29)37-26-24-35-20-6-7-21-35)30-14-18-32(19-15-30)38-27-25-36-22-8-9-23-36/h3-5,10-19H,2,6-9,20-27H2,1H3

InChIKey

XQQWCGJGUHJSLR-UHFFFAOYSA-N

Compound name

1-[2-[4-[2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]ethyl]pyrrolidine

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]+	511.33190	229.3
[M+Na]+	533.31384	227.2
[M-H]-	509.31734	239.5
[M+NH4]+	528.35844	234.0
[M+K]+	549.28778	220.2
[M+H-H2O]+	493.32188	215.8
[M+HCOO]-	555.32282	242.0
[M+CH3COO]-	569.33847	233.3
[M+Na-2H]-	531.29929	219.9
[M]+	510.32407	225.1
[M]-	510.32517	225.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.33190

229.3

[M+Na]+

533.31384

227.2

[M-H]-

509.31734

239.5

[M+NH4]+

528.35844

234.0

[M+K]+

549.28778

220.2

[M+H-H2O]+

493.32188

215.8

[M+HCOO]-

555.32282

242.0

[M+CH3COO]-

569.33847

233.3

[M+Na-2H]-

531.29929

219.9

[M]+

510.32407

225.1

[M]-

510.32517

225.1

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

Ridaifen-b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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