CID 5388858

Nsc639692

Structural Information

Molecular Formula
C22H16N2O
SMILES
C1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3N(C2=O)/N=C/C4=CC=CC=C4
InChI
InChI=1S/C22H16N2O/c25-22-20(15-17-9-3-1-4-10-17)19-13-7-8-14-21(19)24(22)23-16-18-11-5-2-6-12-18/h1-16H/b20-15-,23-16+
InChIKey
GZDYWCRQLGLISK-AURBIRKTSA-N
Compound name
(3Z)-3-benzylidene-1-[(E)-benzylideneamino]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12625 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13353 177.5
[M+Na]+ 347.11547 185.5
[M-H]- 323.11897 188.0
[M+NH4]+ 342.16007 192.9
[M+K]+ 363.08941 178.1
[M+H-H2O]+ 307.12351 167.3
[M+HCOO]- 369.12445 201.5
[M+CH3COO]- 383.14010 188.9
[M+Na-2H]- 345.10092 181.4
[M]+ 324.12570 176.6
[M]- 324.12680 176.6
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.