CID 355374

Nsc608776

Structural Information

Molecular Formula
C14H19NO4
SMILES
CN(C)CC1COC2=C(C1=O)C=CC(=C2OC)OC
InChI
InChI=1S/C14H19NO4/c1-15(2)7-9-8-19-13-10(12(9)16)5-6-11(17-3)14(13)18-4/h5-6,9H,7-8H2,1-4H3
InChIKey
RRDYAYUAHOIMFI-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-7,8-dimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 158.7
[M+Na]+ 288.12062 166.3
[M-H]- 264.12412 165.3
[M+NH4]+ 283.16522 175.9
[M+K]+ 304.09456 166.9
[M+H-H2O]+ 248.12866 151.7
[M+HCOO]- 310.12960 180.1
[M+CH3COO]- 324.14525 205.1
[M+Na-2H]- 286.10607 163.3
[M]+ 265.13085 164.0
[M]- 265.13195 164.0
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.