CID 135705563

5-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-ylimino)-2-indolinone

Structural Information

Molecular Formula
C16H9ClN4O2
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)/N=C/3\C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C16H9ClN4O2/c17-10-6-7-12-11(8-10)13(14(22)18-12)19-16-21-20-15(23-16)9-4-2-1-3-5-9/h1-8H,(H,18,19,21,22)
InChIKey
JOSMSLJPCYPXJJ-UHFFFAOYSA-N
Compound name
(3E)-5-chloro-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0414 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04868 173.2
[M+Na]+ 347.03062 184.3
[M-H]- 323.03412 181.6
[M+NH4]+ 342.07522 186.8
[M+K]+ 363.00456 178.3
[M+H-H2O]+ 307.03866 163.7
[M+HCOO]- 369.03960 190.1
[M+CH3COO]- 383.05525 184.9
[M+Na-2H]- 345.01607 175.7
[M]+ 324.04085 175.8
[M]- 324.04195 175.8
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.