CID 89546

21889-13-4

Structural Information

Molecular Formula
C18H15NO2
SMILES
CN(C)C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H15NO2/c1-19(2)13-9-7-12(8-10-13)11-16-17(20)14-5-3-4-6-15(14)18(16)21/h3-11H,1-2H3
InChIKey
ZIOQBZBVYRPMRT-UHFFFAOYSA-N
Compound name
2-[[4-(dimethylamino)phenyl]methylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

39
Patents

277.1103 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 162.9
[M+Na]+ 300.09952 171.8
[M-H]- 276.10302 172.5
[M+NH4]+ 295.14412 182.4
[M+K]+ 316.07346 167.3
[M+H-H2O]+ 260.10756 155.7
[M+HCOO]- 322.10850 187.6
[M+CH3COO]- 336.12415 205.8
[M+Na-2H]- 298.08497 165.2
[M]+ 277.10975 164.2
[M]- 277.11085 164.2
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