PubChemLite - 76410-37-2 (C33H34N2O4)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3=C2C=C(N3C4=CC=CC=C4)C5=CC=CC=C5)O)OC

InChI

InChI=1S/C33H34N2O4/c1-37-32-17-16-24(20-33(32)38-2)18-19-34-22-27(36)23-39-31-15-9-14-29-28(31)21-30(25-10-5-3-6-11-25)35(29)26-12-7-4-8-13-26/h3-17,20-21,27,34,36H,18-19,22-23H2,1-2H3

InChIKey

QSFUAQGFKNWHJD-UHFFFAOYSA-N

Compound name

1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(1,2-diphenylindol-4-yl)oxypropan-2-ol

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]+	523.25911	229.7
[M+Na]+	545.24105	233.9
[M-H]-	521.24455	240.3
[M+NH4]+	540.28565	234.8
[M+K]+	561.21499	227.4
[M+H-H2O]+	505.24909	216.8
[M+HCOO]-	567.25003	249.0
[M+CH3COO]-	581.26568	236.2
[M+Na-2H]-	543.22650	229.1
[M]+	522.25128	234.9
[M]-	522.25238	234.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.25911

229.7

[M+Na]+

545.24105

233.9

[M-H]-

521.24455

240.3

[M+NH4]+

540.28565

234.8

[M+K]+

561.21499

227.4

[M+H-H2O]+

505.24909

216.8

[M+HCOO]-

567.25003

249.0

[M+CH3COO]-

581.26568

236.2

[M+Na-2H]-

543.22650

229.1

[M]+

522.25128

234.9

[M]-

522.25238

234.9

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

76410-37-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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