CID 513155

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-[(1s)-1-(hydroxymethyl)-2-methyl-propyl]urea

Structural Information

Molecular Formula
C24H38N4O5
SMILES
CC(C)[C@@H](CO)NC(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C4CC4
InChI
InChI=1S/C24H38N4O5/c1-13(2)16(12-29)25-23(33)26-18(14(3)4)21(31)27-11-8-17-19(27)24(9-5-10-24)22(32)28(17)20(30)15-6-7-15/h13-19,29H,5-12H2,1-4H3,(H2,25,26,33)/t16-,17+,18+,19+/m1/s1
InChIKey
GLHMFBVRSWJNQV-XWSJACJDSA-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-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.2842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.29148 216.7
[M+Na]+ 485.27342 214.7
[M-H]- 461.27692 220.7
[M+NH4]+ 480.31802 216.4
[M+K]+ 501.24736 214.9
[M+H-H2O]+ 445.28146 206.9
[M+HCOO]- 507.28240 223.2
[M+CH3COO]- 521.29805 241.3
[M+Na-2H]- 483.25887 206.0
[M]+ 462.28365 224.0
[M]- 462.28475 224.0
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.