PubChemLite - 305335-38-0 (C34H41N5)

Structural Information

Molecular Formula

SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C34H41N5/c1-3-4-5-6-7-11-18-29-27(2)30(26-35)33-36-31-19-12-13-20-32(31)39(33)34(29)38-24-22-37(23-25-38)21-14-17-28-15-9-8-10-16-28/h8-10,12-17,19-20H,3-7,11,18,21-25H2,1-2H3/b17-14+

InChIKey

WMBAZZALXUPHRU-SAPNQHFASA-N

Compound name

3-methyl-2-octyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

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]+	520.34348	232.2
[M+Na]+	542.32542	239.4
[M-H]-	518.32892	233.1
[M+NH4]+	537.37002	234.8
[M+K]+	558.29936	224.5
[M+H-H2O]+	502.33346	211.0
[M+HCOO]-	564.33440	239.2
[M+CH3COO]-	578.35005	234.6
[M+Na-2H]-	540.31087	227.5
[M]+	519.33565	227.2
[M]-	519.33675	227.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.34348

232.2

[M+Na]+

542.32542

239.4

[M-H]-

518.32892

233.1

[M+NH4]+

537.37002

234.8

[M+K]+

558.29936

224.5

[M+H-H2O]+

502.33346

211.0

[M+HCOO]-

564.33440

239.2

[M+CH3COO]-

578.35005

234.6

[M+Na-2H]-

540.31087

227.5

[M]+

519.33565

227.2

[M]-

519.33675

227.2

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

305335-38-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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