CID 121439966

Nesolicaftor

Structural Information

Molecular Formula
C18H18N4O4
SMILES
C[C@H](C1=NN=C(O1)C2CC(C2)NC(=O)C3=CC(=NO3)C4=CC=CC=C4)O
InChI
InChI=1S/C18H18N4O4/c1-10(23)17-20-21-18(25-17)12-7-13(8-12)19-16(24)15-9-14(22-26-15)11-5-3-2-4-6-11/h2-6,9-10,12-13,23H,7-8H2,1H3,(H,19,24)/t10-,12?,13?/m1/s1
InChIKey
XPEHHUISIBFLHX-QFWMXSHPSA-N
Compound name
N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

158
Patents

354.1328 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14008 178.5
[M+Na]+ 377.12202 185.9
[M+NH4]+ 372.16662 179.4
[M+K]+ 393.09596 188.1
[M-H]- 353.12552 181.8
[M+Na-2H]- 375.10747 182.4
[M]+ 354.13225 179.1
[M]- 354.13335 179.1
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

patents stripe