CID 482203

2,7-bis(2-dimethylaminoethyloxy)xanthen-9-one

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CN(C)CCOC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)OCCN(C)C
InChI
InChI=1S/C21H26N2O4/c1-22(2)9-11-25-15-5-7-19-17(13-15)21(24)18-14-16(6-8-20(18)27-19)26-12-10-23(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKey
BUHPVKSIJYDUFM-UHFFFAOYSA-N
Compound name
2,7-bis[2-(dimethylamino)ethoxy]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

370.18927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 189.8
[M+Na]+ 393.178488 197.5
[M-H]- 369.181994 198.6
[M+NH4]+ 388.223093 203.7
[M+K]+ 409.152428 197.1
[M+H-H2O]+ 353.186530 180.0
[M+HCOO]- 415.187471 214.0
[M+CH3COO]- 429.203121 231.2
[M+Na-2H]- 391.163936 195.9
[M]+ 370.18872142 200.7
[M]- 370.18981858 200.7
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