PubChemLite - Muscoride a (C28H40N4O5)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(O1)C2CCCN2C(=O)C(C(C)C)NC(C)(C)C=C)C3=NC(=C(O3)C)C(=O)OCC=C(C)C

InChI

InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3

InChIKey

PFXJYHPNSWNJBP-UHFFFAOYSA-N

Compound name

3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

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]+	513.30715	228.5
[M+Na]+	535.28909	231.4
[M-H]-	511.29259	236.9
[M+NH4]+	530.33369	233.4
[M+K]+	551.26303	231.1
[M+H-H2O]+	495.29713	221.7
[M+HCOO]-	557.29807	240.9
[M+CH3COO]-	571.31372	249.0
[M+Na-2H]-	533.27454	218.2
[M]+	512.29932	235.4
[M]-	512.30042	235.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.30715

228.5

[M+Na]+

535.28909

231.4

[M-H]-

511.29259

236.9

[M+NH4]+

530.33369

233.4

[M+K]+

551.26303

231.1

[M+H-H2O]+

495.29713

221.7

[M+HCOO]-

557.29807

240.9

[M+CH3COO]-

571.31372

249.0

[M+Na-2H]-

533.27454

218.2

[M]+

512.29932

235.4

[M]-

512.30042

235.4

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

Muscoride a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe