CID 296314

Nsc166368

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CCN(CC)CCNC1=C2C(=C(C=C1)CO)OC3=CC=CC=C3C2=O
InChI
InChI=1S/C20H24N2O3/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3
InChIKey
FKEBOYZZRAPIFN-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

340.17868 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 181.2
[M+Na]+ 363.16790 189.2
[M-H]- 339.17140 187.5
[M+NH4]+ 358.21250 195.3
[M+K]+ 379.14184 186.0
[M+H-H2O]+ 323.17594 172.5
[M+HCOO]- 385.17688 203.7
[M+CH3COO]- 399.19253 220.5
[M+Na-2H]- 361.15335 188.3
[M]+ 340.17813 187.5
[M]- 340.17923 187.5
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

No patent data available for this compound.