CID 6510096

1-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-ylimino)indolin-2-one

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]+ 305.10332 168.8
[M+Na]+ 327.08526 179.3
[M-H]- 303.08876 178.8
[M+NH4]+ 322.12986 183.1
[M+K]+ 343.05920 175.3
[M+H-H2O]+ 287.09330 159.0
[M+HCOO]- 349.09424 191.7
[M+CH3COO]- 363.10989 181.4
[M+Na-2H]- 325.07071 172.0
[M]+ 304.09549 171.5
[M]- 304.09659 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.