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 168.8
[M+Na]+ 327.08526 178.9
[M-H]- 303.08876 177.5
[M+NH4]+ 322.12986 182.5
[M+K]+ 343.05920 174.1
[M+H-H2O]+ 287.09330 159.4
[M+HCOO]- 349.09424 190.3
[M+CH3COO]- 363.10989 180.8
[M+Na-2H]- 325.07071 171.7
[M]+ 304.09549 169.8
[M]- 304.09659 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.