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	209.6
[M+Na]+	486.25344	210.7
[M+NH4]+	481.29804	211.7
[M+K]+	502.22738	214.0
[M-H]-	462.25694	214.1
[M+Na-2H]-	484.23889	228.9
[M]+	463.26367	210.0
[M]-	463.26477	210.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.27150

209.6

[M+Na]+

486.25344

210.7

[M+NH4]+

481.29804

211.7

[M+K]+

502.22738

214.0

[M-H]-

462.25694

214.1

[M+Na-2H]-

484.23889

228.9

[M]+

463.26367

210.0

[M]-

463.26477

210.0

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