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
1
Annotation Hits

0
References

15
Patents

309.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 174.6
[M+Na]+ 332.16210 181.5
[M-H]- 308.16560 182.3
[M+NH4]+ 327.20670 192.2
[M+K]+ 348.13604 176.9
[M+H-H2O]+ 292.17014 167.2
[M+HCOO]- 354.17108 196.7
[M+CH3COO]- 368.18673 211.5
[M+Na-2H]- 330.14755 175.4
[M]+ 309.17233 176.3
[M]- 309.17343 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