CID 513162

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-(cyclopropylmethyl)urea

Structural Information

Molecular Formula
C23H34N4O4
SMILES
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C4CC4)NC(=O)NCC5CC5
InChI
InChI=1S/C23H34N4O4/c1-13(2)17(25-22(31)24-12-14-4-5-14)20(29)26-11-8-16-18(26)23(9-3-10-23)21(30)27(16)19(28)15-6-7-15/h13-18H,3-12H2,1-2H3,(H2,24,25,31)/t16-,17-,18-/m0/s1
InChIKey
WARIXZGZPPDVPD-BZSNNMDCSA-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-(cyclopropylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.258 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.26528 204.2
[M+Na]+ 453.24722 203.9
[M-H]- 429.25072 211.3
[M+NH4]+ 448.29182 201.2
[M+K]+ 469.22116 202.7
[M+H-H2O]+ 413.25526 196.4
[M+HCOO]- 475.25620 212.3
[M+CH3COO]- 489.27185 238.1
[M+Na-2H]- 451.23267 195.9
[M]+ 430.25745 212.2
[M]- 430.25855 212.2
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.