PubChemLite - Eurystatin b (C24H40N4O5)

Structural Information

Molecular Formula

SMILES

CCC(C)CC/C=C/C(=O)NC1CCCNC(=O)C(NC(=O)C(=O)C(NC1=O)C)CC(C)C

InChI

InChI=1S/C24H40N4O5/c1-6-16(4)10-7-8-12-20(29)27-18-11-9-13-25-22(31)19(14-15(2)3)28-24(33)21(30)17(5)26-23(18)32/h8,12,15-19H,6-7,9-11,13-14H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,33)/b12-8+

InChIKey

YNIGBMUXBCZRNQ-XYOKQWHBSA-N

Compound name

(E)-6-methyl-N-[7-methyl-3-(2-methylpropyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]oct-2-enamide

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]+	465.30715	211.7
[M+Na]+	487.28909	214.5
[M+NH4]+	482.33369	209.7
[M+K]+	503.26303	212.7
[M-H]-	463.29259	206.9
[M+Na-2H]-	485.27454	206.8
[M]+	464.29932	209.2
[M]-	464.30042	209.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.30715

211.7

[M+Na]+

487.28909

214.5

[M+NH4]+

482.33369

209.7

[M+K]+

503.26303

212.7

[M-H]-

463.29259

206.9

[M+Na-2H]-

485.27454

206.8

[M]+

464.29932

209.2

[M]-

464.30042

209.2

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

Eurystatin b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe