CID 3039032

3-amino-4-(diethylamino)methylxanthen-9-one

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CCN(CC)CC1=C(C=CC2=C1OC3=CC=CC=C3C2=O)N
InChI
InChI=1S/C18H20N2O2/c1-3-20(4-2)11-14-15(19)10-9-13-17(21)12-7-5-6-8-16(12)22-18(13)14/h5-10H,3-4,11,19H2,1-2H3
InChIKey
CPHNNNOYAULJQD-UHFFFAOYSA-N
Compound name
3-amino-4-(diethylaminomethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 169.7
[M+Na]+ 319.14169 179.3
[M-H]- 295.14519 177.3
[M+NH4]+ 314.18629 186.2
[M+K]+ 335.11563 176.3
[M+H-H2O]+ 279.14973 161.4
[M+HCOO]- 341.15067 193.6
[M+CH3COO]- 355.16632 214.2
[M+Na-2H]- 317.12714 177.1
[M]+ 296.15192 174.8
[M]- 296.15302 174.8
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.