CID 3135

3-(4-dimethylamino-benzylidenyl)-2-indolinone

Structural Information

Molecular Formula
C17H16N2O
SMILES
CN(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)
InChIKey
UAKWLVYMKBWHMX-UHFFFAOYSA-N
Compound name
3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

47
References

2923
Patents

264.12625 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe