CID 5270594

Schembl7822484

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC1=CC(=O)OC2=C1C=C3CC(OC3=C2C)CN(C)C
InChI
InChI=1S/C16H19NO3/c1-9-5-14(18)20-16-10(2)15-11(7-13(9)16)6-12(19-15)8-17(3)4/h5,7,12H,6,8H2,1-4H3
InChIKey
XEFKCJDHCDVIMY-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-5,9-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

273.1365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 162.6
[M+Na]+ 296.12572 172.8
[M-H]- 272.12922 171.5
[M+NH4]+ 291.17032 181.4
[M+K]+ 312.09966 172.3
[M+H-H2O]+ 256.13376 156.8
[M+HCOO]- 318.13470 184.0
[M+CH3COO]- 332.15035 207.7
[M+Na-2H]- 294.11117 167.3
[M]+ 273.13595 169.1
[M]- 273.13705 169.1
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

patents stripe