CID 168012364

Wf-210

Structural Information

Molecular Formula
C41H38FN7O7S
SMILES
C1CN(CCN1CC2=NC(=NO2)C3=CC=C(C=C3)COC4=CC=C(C=C4)F)CC(=O)N/N=C/C5=C(C=C(C=C5)OCC6=CSC(=N6)CC7=CC8=C(C=C7)OCO8)O
InChI
InChI=1S/C41H38FN7O7S/c42-31-7-10-33(11-8-31)52-23-27-1-4-29(5-2-27)41-45-39(56-47-41)22-49-15-13-48(14-16-49)21-38(51)46-43-20-30-6-9-34(19-35(30)50)53-24-32-25-57-40(44-32)18-28-3-12-36-37(17-28)55-26-54-36/h1-12,17,19-20,25,50H,13-16,18,21-24,26H2,(H,46,51)/b43-20+
InChIKey
UBTUDBNKVUIOLS-PZUSPJSTSA-N
Compound name
N-[(E)-[4-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazol-4-yl]methoxy]-2-hydroxyphenyl]methylideneamino]-2-[4-[[3-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

791.2537 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 792.26098 258.0
[M+Na]+ 814.24292 260.6
[M-H]- 790.24642 275.5
[M+NH4]+ 809.28752 247.6
[M+K]+ 830.21686 258.7
[M+H-H2O]+ 774.25096 247.2
[M+HCOO]- 836.25190 265.4
[M+CH3COO]- 850.26755 260.6
[M+Na-2H]- 812.22837 250.6
[M]+ 791.25315 264.5
[M]- 791.25425 264.5
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.