CID 507041

Chembl47033

Structural Information

Molecular Formula
C23H37N3O5
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/C23H37N3O5/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/h13-17H,8-12H2,1-7H3,(H,24,30)/t15-,16-,17-/m0/s1
InChIKey
SJCAVACKNRXRRM-ULQDDVLXSA-N
Compound name
tert-butyl N-[(2S)-1-[(3aS,6aR)-4-(2-methylpropanoyl)-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

435.27332 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.28060 214.1
[M+Na]+ 458.26254 212.8
[M-H]- 434.26604 216.5
[M+NH4]+ 453.30714 220.5
[M+K]+ 474.23648 215.9
[M+H-H2O]+ 418.27058 204.2
[M+HCOO]- 480.27152 221.1
[M+CH3COO]- 494.28717 234.9
[M+Na-2H]- 456.24799 205.2
[M]+ 435.27277 222.3
[M]- 435.27387 222.3
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.