CID 6510096

84640-83-5

Structural Information

Molecular Formula
C17H12N4O2
SMILES
CN1C2=CC=CC=C2/C(=N\C3=NN=C(O3)C4=CC=CC=C4)/C1=O
InChI
InChI=1S/C17H12N4O2/c1-21-13-10-6-5-9-12(13)14(16(21)22)18-17-20-19-15(23-17)11-7-3-2-4-8-11/h2-10H,1H3/b18-14+
InChIKey
ILQQJDVXWJOXFF-NBVRZTHBSA-N
Compound name
(3E)-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

304.09604 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.103316 168.8
[M+Na]+ 327.085258 179.3
[M-H]- 303.088764 178.8
[M+NH4]+ 322.129863 183.1
[M+K]+ 343.059198 175.3
[M+H-H2O]+ 287.093300 159.0
[M+HCOO]- 349.094241 191.7
[M+CH3COO]- 363.109891 181.4
[M+Na-2H]- 325.070706 172.0
[M]+ 304.09549142 171.5
[M]- 304.09658858 171.5
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.