CID 337428

Nsc355357

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CCN(CC)CCNC1=C2C(=C(C=C1)CO)OC3=C(C2=O)C=C(C=C3)O
InChI
InChI=1S/C20H24N2O4/c1-3-22(4-2)10-9-21-16-7-5-13(12-23)20-18(16)19(25)15-11-14(24)6-8-17(15)26-20/h5-8,11,21,23-24H,3-4,9-10,12H2,1-2H3
InChIKey
OSFGIIHGSJLJLF-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

356.1736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 184.6
[M+Na]+ 379.16282 192.7
[M-H]- 355.16632 189.8
[M+NH4]+ 374.20742 197.4
[M+K]+ 395.13676 189.7
[M+H-H2O]+ 339.17086 176.1
[M+HCOO]- 401.17180 205.6
[M+CH3COO]- 415.18745 221.9
[M+Na-2H]- 377.14827 190.6
[M]+ 356.17305 190.9
[M]- 356.17415 190.9
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