CID 363711

Nsc628871

Structural Information

Molecular Formula
C22H27NO6
SMILES
CN(C)CC1(COC2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H27NO6/c1-23(2)12-22(14-7-8-16(25-3)18(9-14)26-4)13-29-17-11-20(28-6)19(27-5)10-15(17)21(22)24/h7-11H,12-13H2,1-6H3
InChIKey
KPFMEBHRNITQLZ-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-3-[(dimethylamino)methyl]-6,7-dimethoxy-2H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.18384 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19112 194.3
[M+Na]+ 424.17306 202.0
[M-H]- 400.17656 204.1
[M+NH4]+ 419.21766 207.6
[M+K]+ 440.14700 202.6
[M+H-H2O]+ 384.18110 185.2
[M+HCOO]- 446.18204 214.4
[M+CH3COO]- 460.19769 231.4
[M+Na-2H]- 422.15851 197.3
[M]+ 401.18329 203.8
[M]- 401.18439 203.8
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.