PubChemLite - 150943-99-0 (C24H44N10O6)

Structural Information

Molecular Formula

SMILES

C(C(=N)N)CNC(=O)CC(N)CC(O)CNC(=O)/C=C/C=C/C(=O)NCC(O)CC(N)CC(=O)NCCC(=N)N

InChI

InChI=1S/C24H44N10O6/c25-15(11-23(39)31-7-5-19(27)28)9-17(35)13-33-21(37)3-1-2-4-22(38)34-14-18(36)10-16(26)12-24(40)32-8-6-20(29)30/h1-4,15-18,35-36H,5-14,25-26H2,(H3,27,28)(H3,29,30)(H,31,39)(H,32,40)(H,33,37)(H,34,38)/b3-1+,4-2+

InChIKey

XWHFEAAIGBZKCE-ZPUQHVIOSA-N

Compound name

(2E,4E)-N,N'-bis[4-amino-6-[(3-amino-3-iminopropyl)amino]-2-hydroxy-6-oxohexyl]hexa-2,4-dienediamide

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]+	569.35182	229.0
[M+Na]+	591.33376	225.7
[M-H]-	567.33726	227.9
[M+NH4]+	586.37836	230.2
[M+K]+	607.30770	229.5
[M+H-H2O]+	551.34180	210.4
[M+HCOO]-	613.34274	231.4
[M+CH3COO]-	627.35839	279.6
[M+Na-2H]-	589.31921	268.7
[M]+	568.34399	260.6
[M]-	568.34509	260.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.35182

229.0

[M+Na]+

591.33376

225.7

[M-H]-

567.33726

227.9

[M+NH4]+

586.37836

230.2

[M+K]+

607.30770

229.5

[M+H-H2O]+

551.34180

210.4

[M+HCOO]-

613.34274

231.4

[M+CH3COO]-

627.35839

279.6

[M+Na-2H]-

589.31921

268.7

[M]+

568.34399

260.6

[M]-

568.34509

260.6

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

150943-99-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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