CID 54247706

71156-01-9

Structural Information

Molecular Formula
C21H23NO
SMILES
CCN(CC)C1=CC(=C(C=C1)C=C2CC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C21H23NO/c1-4-22(5-2)19-11-10-16(15(3)12-19)13-18-14-17-8-6-7-9-20(17)21(18)23/h6-13H,4-5,14H2,1-3H3
InChIKey
QULWGLFNOGWMJE-UHFFFAOYSA-N
Compound name
2-[[4-(diethylamino)-2-methylphenyl]methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

305.17798 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 175.0
[M+Na]+ 328.16720 182.4
[M-H]- 304.17070 184.0
[M+NH4]+ 323.21180 193.5
[M+K]+ 344.14114 177.2
[M+H-H2O]+ 288.17524 167.3
[M+HCOO]- 350.17618 198.3
[M+CH3COO]- 364.19183 213.4
[M+Na-2H]- 326.15265 175.5
[M]+ 305.17743 176.6
[M]- 305.17853 176.6
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

patents stripe