CID 5276602

Gsk-pi

Structural Information

Molecular Formula
C24H38N4O4
SMILES
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C(C)C)NC(=O)NC4CCCC4
InChI
InChI=1S/C24H38N4O4/c1-14(2)18(26-23(32)25-16-8-5-6-9-16)21(30)27-13-10-17-19(27)24(11-7-12-24)22(31)28(17)20(29)15(3)4/h14-19H,5-13H2,1-4H3,(H2,25,26,32)/t17-,18-,19-/m0/s1
InChIKey
FJJXWWFUYFJZJA-FHWLQOOXSA-N
Compound name
1-[(2S)-1-[(3aS,6aR)-4-(2-methylpropanoyl)-5-oxospiro[2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-6,1'-cyclobutane]-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.2893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.29658 217.3
[M+Na]+ 469.27852 213.1
[M-H]- 445.28202 222.5
[M+NH4]+ 464.32312 223.8
[M+K]+ 485.25246 215.3
[M+H-H2O]+ 429.28656 206.0
[M+HCOO]- 491.28750 225.6
[M+CH3COO]- 505.30315 238.0
[M+Na-2H]- 467.26397 204.8
[M]+ 446.28875 219.9
[M]- 446.28985 220.0
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.