PubChemLite - Depsidomycin (C38H65N9O9)

Structural Information

Molecular Formula

SMILES

CCC(C)C(C(=O)NC1C(OC(=O)C2CCCNN2C(=O)C(NC(=O)C3CCCNN3C(=O)C(NC(=O)C(NC1=O)CC(C)C)C(C)C)CC(C)C)C)NC=O

InChI

InChI=1S/C38H65N9O9/c1-10-23(8)30(39-19-48)34(51)45-31-24(9)56-38(55)28-14-12-16-41-47(28)36(53)26(18-21(4)5)43-33(50)27-13-11-15-40-46(27)37(54)29(22(6)7)44-32(49)25(17-20(2)3)42-35(31)52/h19-31,40-41H,10-18H2,1-9H3,(H,39,48)(H,42,52)(H,43,50)(H,44,49)(H,45,51)

InChIKey

QCUFYOBGGZSFHY-UHFFFAOYSA-N

Compound name

2-formamido-3-methyl-N-[20-methyl-3,16-bis(2-methylpropyl)-2,5,12,15,18,22-hexaoxo-13-propan-2-yl-21-oxa-1,4,10,11,14,17,27-heptazatricyclo[21.4.0.06,11]heptacosan-19-yl]pentanamide

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]+	792.49782	277.0
[M+Na]+	814.47976	280.7
[M+NH4]+	809.52436	279.6
[M+K]+	830.45370	279.4
[M-H]-	790.48326	273.6
[M+Na-2H]-	812.46521	291.4
[M]+	791.48999	278.2
[M]-	791.49109	278.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

792.49782

277.0

[M+Na]+

814.47976

280.7

[M+NH4]+

809.52436

279.6

[M+K]+

830.45370

279.4

[M-H]-

790.48326

273.6

[M+Na-2H]-

812.46521

291.4

[M]+

791.48999

278.2

[M]-

791.49109

278.2

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

Depsidomycin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe