CID 5276593

(3as,6ar)-1-[(2s)-2-(tert-butoxyamino)-3-methyl-butanoyl]-4-(cyclopropanecarbonyl)spiro[2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-6,1'-cyclobutane]-5-one

Structural Information

Molecular Formula
C22H35N3O4
SMILES
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C4CC4)NOC(C)(C)C
InChI
InChI=1S/C22H35N3O4/c1-13(2)16(23-29-21(3,4)5)19(27)24-12-9-15-17(24)22(10-6-11-22)20(28)25(15)18(26)14-7-8-14/h13-17,23H,6-12H2,1-5H3/t15-,16-,17-/m0/s1
InChIKey
SCRBQVLGGTUJTK-ULQDDVLXSA-N
Compound name
(3aS,6aR)-4-(cyclopropanecarbonyl)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoyl]spiro[2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-6,1'-cyclobutane]-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.26276 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.27004 203.2
[M+Na]+ 428.25198 204.9
[M-H]- 404.25548 209.1
[M+NH4]+ 423.29658 206.7
[M+K]+ 444.22592 204.7
[M+H-H2O]+ 388.26002 194.0
[M+HCOO]- 450.26096 212.0
[M+CH3COO]- 464.27661 230.0
[M+Na-2H]- 426.23743 197.0
[M]+ 405.26221 212.9
[M]- 405.26331 212.9
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.