CID 515392

3,6-bis[3-(dimethylamino)propoxy]xanthen-9-one

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CN(C)CCCOC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)OCCCN(C)C
InChI
InChI=1S/C23H30N2O4/c1-24(2)11-5-13-27-17-7-9-19-21(15-17)29-22-16-18(8-10-20(22)23(19)26)28-14-6-12-25(3)4/h7-10,15-16H,5-6,11-14H2,1-4H3
InChIKey
BBXJMLOVWQWVGG-UHFFFAOYSA-N
Compound name
3,6-bis[3-(dimethylamino)propoxy]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

398.22055 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 199.4
[M+Na]+ 421.20977 206.2
[M-H]- 397.21327 207.7
[M+NH4]+ 416.25437 212.1
[M+K]+ 437.18371 205.3
[M+H-H2O]+ 381.21781 189.2
[M+HCOO]- 443.21875 222.8
[M+CH3COO]- 457.23440 237.0
[M+Na-2H]- 419.19522 204.3
[M]+ 398.22000 210.9
[M]- 398.22110 210.9
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.