CID 507042

Chembl47025

Structural Information

Molecular Formula
C23H35N3O5
SMILES
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C(=C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C23H35N3O5/c1-13(2)16(24-21(30)31-22(5,6)7)19(28)25-12-9-15-17(25)23(10-8-11-23)20(29)26(15)18(27)14(3)4/h13,15-17H,3,8-12H2,1-2,4-7H3,(H,24,30)/t15-,16-,17-/m0/s1
InChIKey
DGODLSMCXGFMJA-ULQDDVLXSA-N
Compound name
tert-butyl N-[(2S)-1-[(3aS,6aR)-4-(2-methylprop-2-enoyl)-5-oxospiro[2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-6,1'-cyclobutane]-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.25766 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.26494 213.1
[M+Na]+ 456.24688 212.1
[M-H]- 432.25038 215.5
[M+NH4]+ 451.29148 219.5
[M+K]+ 472.22082 214.6
[M+H-H2O]+ 416.25492 203.3
[M+HCOO]- 478.25586 220.3
[M+CH3COO]- 492.27151 234.2
[M+Na-2H]- 454.23233 204.2
[M]+ 433.25711 220.7
[M]- 433.25821 220.7
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.