CID 3073424

2h-1-benzopyran-2-one, 8-(3-(dimethylamino)propoxy)-7-methoxy-, hydrochloride

Structural Information

Molecular Formula
C15H19NO4
SMILES
CN(C)CCCOC1=C(C=CC2=C1OC(=O)C=C2)OC
InChI
InChI=1S/C15H19NO4/c1-16(2)9-4-10-19-15-12(18-3)7-5-11-6-8-13(17)20-14(11)15/h5-8H,4,9-10H2,1-3H3
InChIKey
IIILVKWEEQNRAR-UHFFFAOYSA-N
Compound name
8-[3-(dimethylamino)propoxy]-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 161.9
[M+Na]+ 300.12062 170.2
[M-H]- 276.12412 168.7
[M+NH4]+ 295.16522 178.5
[M+K]+ 316.09456 170.2
[M+H-H2O]+ 260.12866 154.3
[M+HCOO]- 322.12960 185.9
[M+CH3COO]- 336.14525 206.2
[M+Na-2H]- 298.10607 168.5
[M]+ 277.13085 170.0
[M]- 277.13195 170.0
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.