PubChemLite - Mutamycin 1 (C19H37N5O8)

Structural Information

Molecular Formula

SMILES

CC1(COC(C(C1NC)O)OC2C(C(C(C(C2O)OC3C(CC=C(O3)CN)N)N)O)N)O

InChI

InChI=1S/C19H37N5O8/c1-19(28)6-29-18(13(27)16(19)24-2)32-15-10(23)11(25)9(22)14(12(15)26)31-17-8(21)4-3-7(5-20)30-17/h3,8-18,24-28H,4-6,20-23H2,1-2H3

InChIKey

GCLCARAXIXZEAH-UHFFFAOYSA-N

Compound name

2-[2,4-diamino-5-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-3,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

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]+	464.27150	212.4
[M+Na]+	486.25344	213.8
[M-H]-	462.25694	204.8
[M+NH4]+	481.29804	212.8
[M+K]+	502.22738	216.8
[M+H-H2O]+	446.26148	201.8
[M+HCOO]-	508.26242	215.0
[M+CH3COO]-	522.27807	247.7
[M+Na-2H]-	484.23889	245.0
[M]+	463.26367	222.8
[M]-	463.26477	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.27150

212.4

[M+Na]+

486.25344

213.8

[M-H]-

462.25694

204.8

[M+NH4]+

481.29804

212.8

[M+K]+

502.22738

216.8

[M+H-H2O]+

446.26148

201.8

[M+HCOO]-

508.26242

215.0

[M+CH3COO]-

522.27807

247.7

[M+Na-2H]-

484.23889

245.0

[M]+

463.26367

222.8

[M]-

463.26477

222.8

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

Mutamycin 1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe