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
5
Annotation Hits

0
References

159
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 175.8
[M+Na]+ 377.12202 180.6
[M-H]- 353.12552 185.4
[M+NH4]+ 372.16662 177.5
[M+K]+ 393.09596 182.7
[M+H-H2O]+ 337.13006 161.0
[M+HCOO]- 399.13100 193.6
[M+CH3COO]- 413.14665 185.5
[M+Na-2H]- 375.10747 175.7
[M]+ 354.13225 187.0
[M]- 354.13335 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