CID 5900716

3(2h)-benzofuranone, 2-((4-(dimethylamino)phenyl)methylene)-

Structural Information

Molecular Formula
C17H15NO2
SMILES
CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)11-16-17(19)14-5-3-4-6-15(14)20-16/h3-11H,1-2H3/b16-11+
InChIKey
BDLCKVSBCPDQJX-LFIBNONCSA-N
Compound name
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

265.1103 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.117576 160.4
[M+Na]+ 288.099518 168.8
[M-H]- 264.103024 170.4
[M+NH4]+ 283.144123 179.0
[M+K]+ 304.073458 166.0
[M+H-H2O]+ 248.107560 153.3
[M+HCOO]- 310.108501 184.4
[M+CH3COO]- 324.124151 202.4
[M+Na-2H]- 286.084966 164.6
[M]+ 265.10975142 162.3
[M]- 265.11084858 162.3
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