CID 678996

Disperseyellow39

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
2
Annotation Hits

0
References

38
Patents

264.12625 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.133526 161.3
[M+Na]+ 287.115468 169.2
[M-H]- 263.118974 167.9
[M+NH4]+ 282.160073 179.2
[M+K]+ 303.089408 163.8
[M+H-H2O]+ 247.123510 153.4
[M+HCOO]- 309.124451 183.2
[M+CH3COO]- 323.140101 173.3
[M+Na-2H]- 285.100916 164.3
[M]+ 264.12570142 159.9
[M]- 264.12679858 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.