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

1
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

patents stripe