CID 170083

Einecs 254-040-0

Structural Information

Molecular Formula
C20H23NO2
SMILES
CCN(CC)C1=CC=C(C=C1)CC2C(C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C20H23NO2/c1-3-21(4-2)15-11-9-14(10-12-15)13-18-19(22)16-7-5-6-8-17(16)20(18)23/h5-12,18-19,22H,3-4,13H2,1-2H3
InChIKey
OXKFXFCTILDPGA-UHFFFAOYSA-N
Compound name
2-[[4-(diethylamino)phenyl]methyl]-3-hydroxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

309.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.180156 174.6
[M+Na]+ 332.162098 181.5
[M-H]- 308.165604 182.3
[M+NH4]+ 327.206703 192.2
[M+K]+ 348.136038 176.9
[M+H-H2O]+ 292.170140 167.2
[M+HCOO]- 354.171081 196.7
[M+CH3COO]- 368.186731 211.5
[M+Na-2H]- 330.147546 175.4
[M]+ 309.17233142 176.3
[M]- 309.17342858 176.3
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