CID 507045

N-{(1s)-2-[(5s,1r)-6-(cyclopropylcarbonyl)-7-oxo-2,6-diazaspiro[bicyclo[3.3.0]octane-8,4'-cyclopentane]-9-en-2-yl]-1-(methylethyl)-2-oxoethyl}(tert-butoxy)carboxamide

Structural Information

Molecular Formula
C24H35N3O5
SMILES
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CC=CC3)C(=O)N2C(=O)C4CC4)NC(=O)OC(C)(C)C
InChI
InChI=1S/C24H35N3O5/c1-14(2)17(25-22(31)32-23(3,4)5)20(29)26-13-10-16-18(26)24(11-6-7-12-24)21(30)27(16)19(28)15-8-9-15/h6-7,14-18H,8-13H2,1-5H3,(H,25,31)/t16-,17-,18-/m0/s1
InChIKey
CPADZQQSUOVOIF-BZSNNMDCSA-N
Compound name
tert-butyl N-[(2S)-1-[(3aS,6aR)-4-(cyclopropanecarbonyl)-5-oxospiro[2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-6,4'-cyclopentene]-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.25766 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.26494 207.3
[M+Na]+ 468.24688 210.8
[M-H]- 444.25038 214.1
[M+NH4]+ 463.29148 217.0
[M+K]+ 484.22082 207.7
[M+H-H2O]+ 428.25492 204.3
[M+HCOO]- 490.25586 217.6
[M+CH3COO]- 504.27151 232.8
[M+Na-2H]- 466.23233 200.1
[M]+ 445.25711 210.0
[M]- 445.25821 210.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.