CID 44544

7-(3-diethylamino-2-hydroxypropoxy)-6-methoxy-4-methylcoumarin hydrochloride

Structural Information

Molecular Formula
C18H25NO5
SMILES
CCN(CC)CC(COC1=C(C=C2C(=CC(=O)OC2=C1)C)OC)O
InChI
InChI=1S/C18H25NO5/c1-5-19(6-2)10-13(20)11-23-17-9-15-14(8-16(17)22-4)12(3)7-18(21)24-15/h7-9,13,20H,5-6,10-11H2,1-4H3
InChIKey
HFFCYNHIWUYLOV-UHFFFAOYSA-N
Compound name
7-[3-(diethylamino)-2-hydroxypropoxy]-6-methoxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17328 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.180556 179.4
[M+Na]+ 358.162498 186.3
[M-H]- 334.166004 184.6
[M+NH4]+ 353.207103 193.0
[M+K]+ 374.136438 186.1
[M+H-H2O]+ 318.170540 171.5
[M+HCOO]- 380.171481 199.9
[M+CH3COO]- 394.187131 217.1
[M+Na-2H]- 356.147946 182.1
[M]+ 335.17273142 188.0
[M]- 335.17382858 188.0
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.