PubChemLite - 155773-72-1 (C22H48N10O4)

Structural Information

Molecular Formula

SMILES

C(CN(CCC(=O)NCCN)CCN(CCC(=O)NCCN)CCC(=O)NCCN)C(=O)NCCN

InChI

InChI=1S/C22H48N10O4/c23-5-9-27-19(33)1-13-31(14-2-20(34)28-10-6-24)17-18-32(15-3-21(35)29-11-7-25)16-4-22(36)30-12-8-26/h1-18,23-26H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)

InChIKey

SENLDUJVTGGYIH-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide

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]+	517.39328	230.1
[M+Na]+	539.37522	250.8
[M-H]-	515.37872	246.0
[M+NH4]+	534.41982	230.1
[M+K]+	555.34916	237.8
[M+H-H2O]+	499.38326	225.4
[M+HCOO]-	561.38420	215.1
[M+CH3COO]-	575.39985	276.5
[M+Na-2H]-	537.36067	222.4
[M]+	516.38545	207.1
[M]-	516.38655	207.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.39328

230.1

[M+Na]+

539.37522

250.8

[M-H]-

515.37872

246.0

[M+NH4]+

534.41982

230.1

[M+K]+

555.34916

237.8

[M+H-H2O]+

499.38326

225.4

[M+HCOO]-

561.38420

215.1

[M+CH3COO]-

575.39985

276.5

[M+Na-2H]-

537.36067

222.4

[M]+

516.38545

207.1

[M]-

516.38655

207.1

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

155773-72-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe