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]+ 336.18056 179.4
[M+Na]+ 358.16250 186.3
[M-H]- 334.16600 184.6
[M+NH4]+ 353.20710 193.0
[M+K]+ 374.13644 186.1
[M+H-H2O]+ 318.17054 171.5
[M+HCOO]- 380.17148 199.9
[M+CH3COO]- 394.18713 217.1
[M+Na-2H]- 356.14795 182.1
[M]+ 335.17273 188.0
[M]- 335.17383 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.