PubChemLite - Gusperimus (C17H37N7O3)

Structural Information

Molecular Formula

SMILES

C(CCCN=C(N)N)CCC(=O)NC(C(=O)NCCCCNCCCN)O

InChI

InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)

InChIKey

IDINUJSAMVOPCM-UHFFFAOYSA-N

Compound name

N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide

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]+	388.30306	191.6
[M+Na]+	410.28500	188.2
[M-H]-	386.28850	188.6
[M+NH4]+	405.32960	213.7
[M+K]+	426.25894	187.9
[M+H-H2O]+	370.29304	181.2
[M+HCOO]-	432.29398	211.1
[M+CH3COO]-	446.30963	240.5
[M+Na-2H]-	408.27045	187.8
[M]+	387.29523	187.5
[M]-	387.29633	187.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

388.30306

191.6

[M+Na]+

410.28500

188.2

[M-H]-

386.28850

188.6

[M+NH4]+

405.32960

213.7

[M+K]+

426.25894

187.9

[M+H-H2O]+

370.29304

181.2

[M+HCOO]-

432.29398

211.1

[M+CH3COO]-

446.30963

240.5

[M+Na-2H]-

408.27045

187.8

[M]+

387.29523

187.5

[M]-

387.29633

187.5

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

Gusperimus

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe