PubChemLite - Deprenylmuscoride a (C23H32N4O5)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(O1)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(C)(C)C=C)C3=NC(=C(O3)C)C(=O)O

InChI

InChI=1S/C23H32N4O5/c1-8-23(6,7)26-16(12(2)3)21(28)27-11-9-10-15(27)19-24-17(13(4)31-19)20-25-18(22(29)30)14(5)32-20/h8,12,15-16,26H,1,9-11H2,2-7H3,(H,29,30)/t15-,16-/m0/s1

InChIKey

ZKFLQWQJCKJLMF-HOTGVXAUSA-N

Compound name

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

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]+	445.24455	208.1
[M+Na]+	467.22649	212.6
[M-H]-	443.22999	215.9
[M+NH4]+	462.27109	215.0
[M+K]+	483.20043	212.5
[M+H-H2O]+	427.23453	201.8
[M+HCOO]-	489.23547	221.5
[M+CH3COO]-	503.25112	233.9
[M+Na-2H]-	465.21194	200.7
[M]+	444.23672	213.0
[M]-	444.23782	213.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.24455

208.1

[M+Na]+

467.22649

212.6

[M-H]-

443.22999

215.9

[M+NH4]+

462.27109

215.0

[M+K]+

483.20043

212.5

[M+H-H2O]+

427.23453

201.8

[M+HCOO]-

489.23547

221.5

[M+CH3COO]-

503.25112

233.9

[M+Na-2H]-

465.21194

200.7

[M]+

444.23672

213.0

[M]-

444.23782

213.0

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

Deprenylmuscoride a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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