PubChemLite - Pd195482 (C24H36N4O4)

Structural Information

Molecular Formula

SMILES

CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C4CC4)NC(=O)NC5CCCC5

InChI

InChI=1S/C24H36N4O4/c1-14(2)18(26-23(32)25-16-6-3-4-7-16)21(30)27-13-10-17-19(27)24(11-5-12-24)22(31)28(17)20(29)15-8-9-15/h14-19H,3-13H2,1-2H3,(H2,25,26,32)/t17-,18-,19-/m0/s1

InChIKey

SJYRZAIFYPDCFL-FHWLQOOXSA-N

Compound name

1-[(2S)-1-[(3aS,6aR)-4-(cyclopropanecarbonyl)-5-oxospiro[2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-6,1'-cyclobutane]-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea

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]+	445.28093	206.1
[M+Na]+	467.26287	204.4
[M-H]-	443.26637	214.3
[M+NH4]+	462.30747	208.6
[M+K]+	483.23681	204.0
[M+H-H2O]+	427.27091	196.5
[M+HCOO]-	489.27185	215.2
[M+CH3COO]-	503.28750	236.6
[M+Na-2H]-	465.24832	195.9
[M]+	444.27310	210.8
[M]-	444.27420	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.28093

206.1

[M+Na]+

467.26287

204.4

[M-H]-

443.26637

214.3

[M+NH4]+

462.30747

208.6

[M+K]+

483.23681

204.0

[M+H-H2O]+

427.27091

196.5

[M+HCOO]-

489.27185

215.2

[M+CH3COO]-

503.28750

236.6

[M+Na-2H]-

465.24832

195.9

[M]+

444.27310

210.8

[M]-

444.27420

210.8

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

Pd195482

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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