PubChemLite - Nikkomycin m (C15H20N4O10)

Structural Information

Molecular Formula

SMILES

C1=C(NC(=O)N1C2C(C(C(O2)C(C(=O)NC(CCC(=O)O)C(=O)O)N)O)O)C=O

InChI

InChI=1S/C15H20N4O10/c16-8(12(25)18-6(14(26)27)1-2-7(21)22)11-9(23)10(24)13(29-11)19-3-5(4-20)17-15(19)28/h3-4,6,8-11,13,23-24H,1-2,16H2,(H,17,28)(H,18,25)(H,21,22)(H,26,27)

InChIKey

NBXXBNKMLQTMIN-UHFFFAOYSA-N

Compound name

2-[[2-amino-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid

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]+	417.12523	187.6
[M+Na]+	439.10717	189.1
[M-H]-	415.11067	186.4
[M+NH4]+	434.15177	192.2
[M+K]+	455.08111	189.9
[M+H-H2O]+	399.11521	180.7
[M+HCOO]-	461.11615	198.3
[M+CH3COO]-	475.13180	221.4
[M+Na-2H]-	437.09262	180.3
[M]+	416.11740	185.3
[M]-	416.11850	185.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.12523

187.6

[M+Na]+

439.10717

189.1

[M-H]-

415.11067

186.4

[M+NH4]+

434.15177

192.2

[M+K]+

455.08111

189.9

[M+H-H2O]+

399.11521

180.7

[M+HCOO]-

461.11615

198.3

[M+CH3COO]-

475.13180

221.4

[M+Na-2H]-

437.09262

180.3

[M]+

416.11740

185.3

[M]-

416.11850

185.3

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

Nikkomycin m

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe