CID 135705569

1,3-dihydro-3-((5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)imino)-5-methyl-2h-indol-2-one

Structural Information

Molecular Formula
C17H11ClN4O2
SMILES
CC1=CC\2=C(C=C1)NC(=O)/C2=N/C3=NN=C(O3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H11ClN4O2/c1-9-2-7-13-12(8-9)14(15(23)19-13)20-17-22-21-16(24-17)10-3-5-11(18)6-4-10/h2-8H,1H3,(H,19,20,22,23)
InChIKey
GTKHTJXJDNHETL-UHFFFAOYSA-N
Compound name
(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.05707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06435 178.7
[M+Na]+ 361.04629 190.3
[M-H]- 337.04979 187.4
[M+NH4]+ 356.09089 192.1
[M+K]+ 377.02023 184.1
[M+H-H2O]+ 321.05433 169.4
[M+HCOO]- 383.05527 195.3
[M+CH3COO]- 397.07092 190.3
[M+Na-2H]- 359.03174 180.0
[M]+ 338.05652 182.2
[M]- 338.05762 182.2
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.