CID 513157

[(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]urea

Structural Information

Molecular Formula
C19H28N4O4
SMILES
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C4CC4)NC(=O)N
InChI
InChI=1S/C19H28N4O4/c1-10(2)13(21-18(20)27)16(25)22-9-6-12-14(22)19(7-3-8-19)17(26)23(12)15(24)11-4-5-11/h10-14H,3-9H2,1-2H3,(H3,20,21,27)/t12-,13-,14-/m0/s1
InChIKey
FXJDAYFUCLSHKS-IHRRRGAJSA-N
Compound name
[(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]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.21106 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21834 194.5
[M+Na]+ 399.20028 196.0
[M-H]- 375.20378 200.1
[M+NH4]+ 394.24488 198.1
[M+K]+ 415.17422 195.6
[M+H-H2O]+ 359.20832 184.3
[M+HCOO]- 421.20926 205.2
[M+CH3COO]- 435.22491 226.3
[M+Na-2H]- 397.18573 187.0
[M]+ 376.21051 200.9
[M]- 376.21161 200.9
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.