PubChemLite - Cgc-11157 (C32H72N8)

Structural Information

Molecular Formula

SMILES

CCNCCCCNCCCCNCCCCNC/C=C\CNCCCCNCCCCNCCCCNCC

InChI

InChI=1S/C32H72N8/c1-3-33-19-5-7-21-35-23-9-11-25-37-27-13-15-29-39-31-17-18-32-40-30-16-14-28-38-26-12-10-24-36-22-8-6-20-34-4-2/h17-18,33-40H,3-16,19-32H2,1-2H3/b18-17-

InChIKey

ASGIDNBTTUTGHX-ZCXUNETKSA-N

Compound name

N-ethyl-N'-[4-[4-[[(Z)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine

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]+	569.59528	305.6
[M+Na]+	591.57722	318.8
[M-H]-	567.58072	302.1
[M+NH4]+	586.62182	293.5
[M+K]+	607.55116	310.5
[M+H-H2O]+	551.58526	295.8
[M+HCOO]-	613.58620	299.2
[M+CH3COO]-	627.60185	282.4
[M+Na-2H]-	589.56267	285.0
[M]+	568.58745	286.6
[M]-	568.58855	286.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.59528

305.6

[M+Na]+

591.57722

318.8

[M-H]-

567.58072

302.1

[M+NH4]+

586.62182

293.5

[M+K]+

607.55116

310.5

[M+H-H2O]+

551.58526

295.8

[M+HCOO]-

613.58620

299.2

[M+CH3COO]-

627.60185

282.4

[M+Na-2H]-

589.56267

285.0

[M]+

568.58745

286.6

[M]-

568.58855

286.6

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

Cgc-11157

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe