CID 375295

Nsc654812

Structural Information

Molecular Formula
C23H17ClN4O2S
SMILES
C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17ClN4O2S/c24-18-10-6-16(7-11-18)14-25-19-12-8-17(9-13-19)22-27-28-23(30-22)31-15-21(29)26-20-4-2-1-3-5-20/h1-14H,15H2,(H,26,29)
InChIKey
OTJMMQITYHDSEI-UHFFFAOYSA-N
Compound name
2-[[5-[4-[(4-chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.07608 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.08336 206.7
[M+Na]+ 471.06530 215.0
[M-H]- 447.06880 219.1
[M+NH4]+ 466.10990 214.4
[M+K]+ 487.03924 208.0
[M+H-H2O]+ 431.07334 195.9
[M+HCOO]- 493.07428 221.8
[M+CH3COO]- 507.08993 216.0
[M+Na-2H]- 469.05075 208.0
[M]+ 448.07553 212.8
[M]- 448.07663 212.8
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

No patent data available for this compound.