PubChemLite - Monamycin (C32H53N7O7)

Structural Information

Molecular Formula

SMILES

CC(C)CC1C(=O)C2CC(CN2)C(=O)NC(C(=O)OC(C(=O)N3C(CCCN3)C(=O)N4CC(CCN4)C(=O)N1C)C(C)C)C(C)C

InChI

InChI=1S/C32H53N7O7/c1-17(2)13-24-26(40)22-14-21(15-33-22)28(41)36-25(18(3)4)32(45)46-27(19(5)6)31(44)39-23(9-8-11-35-39)30(43)38-16-20(10-12-34-38)29(42)37(24)7/h17-25,27,33-35H,8-16H2,1-7H3,(H,36,41)

InChIKey

WTLGBIQVBFJEGX-UHFFFAOYSA-N

Compound name

22-methyl-21-(2-methylpropyl)-10,13-di(propan-2-yl)-11-oxa-1,7,8,14,18,22,27-heptazatetracyclo[22.3.1.116,19.03,8]nonacosane-2,9,12,15,20,23-hexone

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]+	648.40791	261.5
[M+Na]+	670.38985	261.1
[M-H]-	646.39335	245.8
[M+NH4]+	665.43445	256.2
[M+K]+	686.36379	244.8
[M+H-H2O]+	630.39789	236.0
[M+HCOO]-	692.39883	257.6
[M+CH3COO]-	706.41448	263.8
[M+Na-2H]-	668.37530	256.1
[M]+	647.40008	260.4
[M]-	647.40118	260.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

648.40791

261.5

[M+Na]+

670.38985

261.1

[M-H]-

646.39335

245.8

[M+NH4]+

665.43445

256.2

[M+K]+

686.36379

244.8

[M+H-H2O]+

630.39789

236.0

[M+HCOO]-

692.39883

257.6

[M+CH3COO]-

706.41448

263.8

[M+Na-2H]-

668.37530

256.1

[M]+

647.40008

260.4

[M]-

647.40118

260.5

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

Monamycin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe