CID 44506

Coumarin, 7,8-dimethoxy-6-(2-hydroxy-3-isobutylaminopropoxy)-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H27NO6
SMILES
CC1=CC(=O)OC2=C(C(=C(C=C12)OCC(CNCC(C)C)O)OC)OC
InChI
InChI=1S/C19H27NO6/c1-11(2)8-20-9-13(21)10-25-15-7-14-12(3)6-16(22)26-17(14)19(24-5)18(15)23-4/h6-7,11,13,20-21H,8-10H2,1-5H3
InChIKey
HIHJZLNZGYQNBN-UHFFFAOYSA-N
Compound name
6-[2-hydroxy-3-(2-methylpropylamino)propoxy]-7,8-dimethoxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.18384 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19112 186.8
[M+Na]+ 388.17306 193.5
[M-H]- 364.17656 190.8
[M+NH4]+ 383.21766 198.6
[M+K]+ 404.14700 193.1
[M+H-H2O]+ 348.18110 178.9
[M+HCOO]- 410.18204 205.6
[M+CH3COO]- 424.19769 221.4
[M+Na-2H]- 386.15851 188.0
[M]+ 365.18329 195.7
[M]- 365.18439 195.7
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.