PubChemLite - Cipemastat (C22H36N4O5)

Structural Information

Molecular Formula

SMILES

CC1(C(=O)N(C(=O)N1C)C[C@@H]([C@@H](CC2CCCC2)C(=O)N3CCCCC3)C(=O)NO)C

InChI

InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1

InChIKey

GFUITADOEPNRML-SJORKVTESA-N

Compound name

(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide

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]+	437.27588	204.5
[M+Na]+	459.25782	204.0
[M-H]-	435.26132	207.4
[M+NH4]+	454.30242	213.5
[M+K]+	475.23176	202.2
[M+H-H2O]+	419.26586	196.5
[M+HCOO]-	481.26680	212.4
[M+CH3COO]-	495.28245	229.2
[M+Na-2H]-	457.24327	194.5
[M]+	436.26805	198.4
[M]-	436.26915	198.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.27588

204.5

[M+Na]+

459.25782

204.0

[M-H]-

435.26132

207.4

[M+NH4]+

454.30242

213.5

[M+K]+

475.23176

202.2

[M+H-H2O]+

419.26586

196.5

[M+HCOO]-

481.26680

212.4

[M+CH3COO]-

495.28245

229.2

[M+Na-2H]-

457.24327

194.5

[M]+

436.26805

198.4

[M]-

436.26915

198.4

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

Cipemastat

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe