CID 507040

Chembl296850

Structural Information

Molecular Formula
C23H35N3O5
SMILES
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C4CC4)NC(=O)OC(C)(C)C
InChI
InChI=1S/C23H35N3O5/c1-13(2)16(24-21(30)31-22(3,4)5)19(28)25-12-9-15-17(25)23(10-6-11-23)20(29)26(15)18(27)14-7-8-14/h13-17H,6-12H2,1-5H3,(H,24,30)/t15-,16-,17-/m0/s1
InChIKey
YODDBSHHLFFXQX-ULQDDVLXSA-N
Compound name
tert-butyl N-[(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]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.25766 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.26494 209.5
[M+Na]+ 456.24688 210.4
[M-H]- 432.25038 215.2
[M+NH4]+ 451.29148 211.7
[M+K]+ 472.22082 210.6
[M+H-H2O]+ 416.25492 200.6
[M+HCOO]- 478.25586 217.2
[M+CH3COO]- 492.27151 233.7
[M+Na-2H]- 454.23233 202.1
[M]+ 433.25711 219.4
[M]- 433.25821 219.4
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.