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	232.9
[M+Na]+	533.31384	244.3
[M+NH4]+	528.35844	239.4
[M+K]+	549.28778	237.9
[M-H]-	509.31734	240.9
[M+Na-2H]-	531.29929	241.2
[M]+	510.32407	236.7
[M]-	510.32517	236.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.33190

232.9

[M+Na]+

533.31384

244.3

[M+NH4]+

528.35844

239.4

[M+K]+

549.28778

237.9

[M-H]-

509.31734

240.9

[M+Na-2H]-

531.29929

241.2

[M]+

510.32407

236.7

[M]-

510.32517

236.7

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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