CID 162668624

Chembl4788432

Structural Information

Molecular Formula
C33H33N7O9S
SMILES
COC1=C(SC(=N1)C2=CC(=NC=C2)NC(=O)C3CC3)C(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O
InChI
InChI=1S/C33H33N7O9S/c1-48-30-26(50-31(39-30)18-11-14-34-22(15-18)37-27(43)17-7-8-17)29(45)36-13-3-2-12-35-24(42)16-49-21-6-4-5-19-25(21)33(47)40(32(19)46)20-9-10-23(41)38-28(20)44/h4-6,11,14-15,17,20H,2-3,7-10,12-13,16H2,1H3,(H,35,42)(H,36,45)(H,34,37,43)(H,38,41,44)
InChIKey
NBMXZZVIVCEUFF-UHFFFAOYSA-N
Compound name
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-4-methoxy-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

703.20605 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.21333 247.7
[M+Na]+ 726.19527 240.9
[M-H]- 702.19877 228.8
[M+NH4]+ 721.23987 234.7
[M+K]+ 742.16921 242.7
[M+H-H2O]+ 686.20331 241.2
[M+HCOO]- 748.20425 236.3
[M+CH3COO]- 762.21990 280.9
[M+Na-2H]- 724.18072 242.9
[M]+ 703.20550 254.2
[M]- 703.20660 254.2
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.