CID 5276595

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

Structural Information

Molecular Formula
C22H37N3O4
SMILES
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C(C)C)NOC(C)(C)C
InChI
InChI=1S/C22H37N3O4/c1-13(2)16(23-29-21(5,6)7)19(27)24-12-9-15-17(24)22(10-8-11-22)20(28)25(15)18(26)14(3)4/h13-17,23H,8-12H2,1-7H3/t15-,16-,17-/m0/s1
InChIKey
RRKHPAQKAMPNTB-ULQDDVLXSA-N
Compound name
(3aS,6aR)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoyl]-4-(2-methylpropanoyl)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

407.2784 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.28568 208.1
[M+Na]+ 430.26762 207.6
[M-H]- 406.27112 210.6
[M+NH4]+ 425.31222 215.8
[M+K]+ 446.24156 210.0
[M+H-H2O]+ 390.27566 198.0
[M+HCOO]- 452.27660 216.1
[M+CH3COO]- 466.29225 231.1
[M+Na-2H]- 428.25307 200.3
[M]+ 407.27785 216.1
[M]- 407.27895 216.1
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.