CID 678996

Disperse yellow 39

Structural Information

Molecular Formula
C17H16N2O
SMILES
CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3N2
InChI
InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-16-17(20)14-5-3-4-6-15(14)18-16/h3-11,18H,1-2H3/b16-11+
InChIKey
QHKZIUJTLUGSEX-LFIBNONCSA-N
Compound name
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

264.12625 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.3
[M+Na]+ 287.11547 169.2
[M-H]- 263.11897 167.9
[M+NH4]+ 282.16007 179.2
[M+K]+ 303.08941 163.8
[M+H-H2O]+ 247.12351 153.4
[M+HCOO]- 309.12445 183.2
[M+CH3COO]- 323.14010 173.3
[M+Na-2H]- 285.10092 164.3
[M]+ 264.12570 159.9
[M]- 264.12680 159.9
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.