CID 6510097

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

Structural Information

Molecular Formula
C17H11ClN4O2
SMILES
CN1C2=C(C=C(C=C2)Cl)/C(=N\C3=NN=C(O3)C4=CC=CC=C4)/C1=O
InChI
InChI=1S/C17H11ClN4O2/c1-22-13-8-7-11(18)9-12(13)14(16(22)23)19-17-21-20-15(24-17)10-5-3-2-4-6-10/h2-9H,1H3/b19-14+
InChIKey
ONYZKFYEFZORCS-XMHGGMMESA-N
Compound name
(3E)-5-chloro-1-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.05707 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06435 178.9
[M+Na]+ 361.04629 190.9
[M-H]- 337.04979 188.7
[M+NH4]+ 356.09089 192.9
[M+K]+ 377.02023 185.4
[M+H-H2O]+ 321.05433 169.2
[M+HCOO]- 383.05527 196.8
[M+CH3COO]- 397.07092 191.0
[M+Na-2H]- 359.03174 180.4
[M]+ 338.05652 184.0
[M]- 338.05762 184.0
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

No patent data available for this compound.