CID 389283

Nsc685036

Structural Information

Molecular Formula
C22H19NO6
SMILES
CC(=O)OC1=C2C(=C(C3=C1C=CC(=C3)N(C)C)O)C(=O)C4=C(O2)C(=CC=C4)OC
InChI
InChI=1S/C22H19NO6/c1-11(24)28-21-13-9-8-12(23(2)3)10-15(13)19(26)17-18(25)14-6-5-7-16(27-4)20(14)29-22(17)21/h5-10,26H,1-4H3
InChIKey
AJFPTLNCOCUJNV-UHFFFAOYSA-N
Compound name
[9-(dimethylamino)-11-hydroxy-4-methoxy-12-oxobenzo[b]xanthen-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.12125 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12853 190.4
[M+Na]+ 416.11047 201.1
[M-H]- 392.11397 198.7
[M+NH4]+ 411.15507 203.5
[M+K]+ 432.08441 200.0
[M+H-H2O]+ 376.11851 181.2
[M+HCOO]- 438.11945 209.9
[M+CH3COO]- 452.13510 229.7
[M+Na-2H]- 414.09592 195.9
[M]+ 393.12070 200.6
[M]- 393.12180 200.6
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.