CID 6510098

3-(5-(p-chlorophenyl)-1,3,4-oxadiazol-2-ylimino)-1,5-dimethyl-2-indolinone

Structural Information

Molecular Formula
C18H13ClN4O2
SMILES
CC1=CC\2=C(C=C1)N(C(=O)/C2=N/C3=NN=C(O3)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C18H13ClN4O2/c1-10-3-8-14-13(9-10)15(17(24)23(14)2)20-18-22-21-16(25-18)11-4-6-12(19)7-5-11/h3-9H,1-2H3/b20-15+
InChIKey
RPNOGRGKZIAKOX-HMMYKYKNSA-N
Compound name
(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0727 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07998 184.2
[M+Na]+ 375.06192 196.7
[M-H]- 351.06542 194.4
[M+NH4]+ 370.10652 198.0
[M+K]+ 391.03586 191.0
[M+H-H2O]+ 335.06996 174.7
[M+HCOO]- 397.07090 201.8
[M+CH3COO]- 411.08655 196.3
[M+Na-2H]- 373.04737 184.5
[M]+ 352.07215 190.1
[M]- 352.07325 190.1
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.