CID 9588611

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

Structural Information

Molecular Formula
C17H10Cl2N4O2
SMILES
CN1C2=C(C=C(C=C2)Cl)/C(=N\C3=NN=C(O3)C4=CC=C(C=C4)Cl)/C1=O
InChI
InChI=1S/C17H10Cl2N4O2/c1-23-13-7-6-11(19)8-12(13)14(16(23)24)20-17-22-21-15(25-17)9-2-4-10(18)5-3-9/h2-8H,1H3/b20-14+
InChIKey
IGQVYGYODHVCDH-XSFVSMFZSA-N
Compound name
(3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.01807 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.02535 187.8
[M+Na]+ 395.00729 200.8
[M-H]- 371.01079 196.9
[M+NH4]+ 390.05189 201.0
[M+K]+ 410.98123 194.4
[M+H-H2O]+ 355.01533 178.2
[M+HCOO]- 417.01627 200.3
[M+CH3COO]- 431.03192 199.2
[M+Na-2H]- 392.99274 187.5
[M]+ 372.01752 194.3
[M]- 372.01862 194.3
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.