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
2
Annotation Hits

0
References

274
Patents

354.1328 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.140076 175.8
[M+Na]+ 377.122018 180.6
[M-H]- 353.125524 185.4
[M+NH4]+ 372.166623 177.5
[M+K]+ 393.095958 182.7
[M+H-H2O]+ 337.130060 161.0
[M+HCOO]- 399.131001 193.6
[M+CH3COO]- 413.146651 185.5
[M+Na-2H]- 375.107466 175.7
[M]+ 354.13225142 187.0
[M]- 354.13334858 187.0
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

patents stripe