CID 135705566

84640-91-5

Structural Information

Molecular Formula
C17H12N4O2
SMILES
CC1=CC\2=C(C=C1)NC(=O)/C2=N/C3=NN=C(O3)C4=CC=CC=C4
InChI
InChI=1S/C17H12N4O2/c1-10-7-8-13-12(9-10)14(15(22)18-13)19-17-21-20-16(23-17)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19,21,22)
InChIKey
IIRQFOQQQJUMDR-UHFFFAOYSA-N
Compound name
(3E)-5-methyl-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

304.09604 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.103316 168.8
[M+Na]+ 327.085258 178.9
[M-H]- 303.088764 177.5
[M+NH4]+ 322.129863 182.5
[M+K]+ 343.059198 174.1
[M+H-H2O]+ 287.093300 159.4
[M+HCOO]- 349.094241 190.3
[M+CH3COO]- 363.109891 180.8
[M+Na-2H]- 325.070706 171.7
[M]+ 304.09549142 169.8
[M]- 304.09658858 169.8
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.