CID 89497391

Olumacostat glasaretil

Structural Information

Molecular Formula
C26H43NO7
SMILES
CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)OCC(=O)N(C)CC(=O)OCC
InChI
InChI=1S/C26H43NO7/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-32-25-18-17-22(34-25)26(30)33-21-23(28)27(3)20-24(29)31-5-2/h17-18H,4-16,19-21H2,1-3H3
InChIKey
FYJLDICZGDFWKP-UHFFFAOYSA-N
Compound name
[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 5-tetradecoxyfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

72
Patents

481.30396 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.31124 226.9
[M+Na]+ 504.29318 226.6
[M-H]- 480.29668 229.8
[M+NH4]+ 499.33778 233.6
[M+K]+ 520.26712 226.8
[M+H-H2O]+ 464.30122 217.7
[M+HCOO]- 526.30216 236.4
[M+CH3COO]- 540.31781 243.2
[M+Na-2H]- 502.27863 220.8
[M]+ 481.30341 240.8
[M]- 481.30451 240.8
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

patents stripe