CID 20056985

Ns00050854

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CCN(CC)CCNC1=C2C(=C(C=C1)OC)OC3=CC=CC=C3C2=O
InChI
InChI=1S/C20H24N2O3/c1-4-22(5-2)13-12-21-15-10-11-17(24-3)20-18(15)19(23)14-8-6-7-9-16(14)25-20/h6-11,21H,4-5,12-13H2,1-3H3
InChIKey
LQYIRKQUVDRMMA-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethylamino]-4-methoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.185956 181.5
[M+Na]+ 363.167898 189.9
[M-H]- 339.171404 189.1
[M+NH4]+ 358.212503 196.2
[M+K]+ 379.141838 187.5
[M+H-H2O]+ 323.175940 172.4
[M+HCOO]- 385.176881 205.4
[M+CH3COO]- 399.192531 222.8
[M+Na-2H]- 361.153346 188.8
[M]+ 340.17813142 189.5
[M]- 340.17922858 189.5
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

No patent data available for this compound.