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

literature stripe

Patent stripe

patents stripe