CID 513160

1-[(1s)-1-[(3as,6ar)-4-(cyclopropanecarbonyl)-5-oxo-spiro[2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-6,1'-cyclobutane]-1-carbonyl]-2-methyl-propyl]-3-cyclopropyl-urea

Structural Information

Molecular Formula
C22H32N4O4
SMILES
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C4CC4)NC(=O)NC5CC5
InChI
InChI=1S/C22H32N4O4/c1-12(2)16(24-21(30)23-14-6-7-14)19(28)25-11-8-15-17(25)22(9-3-10-22)20(29)26(15)18(27)13-4-5-13/h12-17H,3-11H2,1-2H3,(H2,23,24,30)/t15-,16-,17-/m0/s1
InChIKey
FHXVRMJVNBMTBI-ULQDDVLXSA-N
Compound name
1-[(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]-3-cyclopropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.24237 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.24965 201.0
[M+Na]+ 439.23159 201.0
[M-H]- 415.23509 208.3
[M+NH4]+ 434.27619 198.5
[M+K]+ 455.20553 200.0
[M+H-H2O]+ 399.23963 193.3
[M+HCOO]- 461.24057 209.4
[M+CH3COO]- 475.25622 235.8
[M+Na-2H]- 437.21704 193.0
[M]+ 416.24182 208.7
[M]- 416.24292 208.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.