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]+ 305.10332 169.2
[M+Na]+ 327.08526 183.6
[M+NH4]+ 322.12986 176.4
[M+K]+ 343.05920 180.6
[M-H]- 303.08876 175.1
[M+Na-2H]- 325.07071 176.8
[M]+ 304.09549 172.8
[M]- 304.09659 172.8
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.