CID 5744349

2h-1-benzopyran-2-one, 6-((dimethylamino)methyl)-7-hydroxy-4-methyl-8-(2-propenyl)-, hydrochloride

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC1=CC(=O)OC2=C1C=C(C(=C2CC=C)O)CN(C)C
InChI
InChI=1S/C16H19NO3/c1-5-6-12-15(19)11(9-17(3)4)8-13-10(2)7-14(18)20-16(12)13/h5,7-8,19H,1,6,9H2,2-4H3
InChIKey
QUARHORHZVAMTC-UHFFFAOYSA-N
Compound name
6-[(dimethylamino)methyl]-7-hydroxy-4-methyl-8-prop-2-enylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

273.1365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 162.2
[M+Na]+ 296.12572 172.0
[M-H]- 272.12922 168.4
[M+NH4]+ 291.17032 179.0
[M+K]+ 312.09966 169.8
[M+H-H2O]+ 256.13376 155.5
[M+HCOO]- 318.13470 184.3
[M+CH3COO]- 332.15035 206.4
[M+Na-2H]- 294.11117 166.4
[M]+ 273.13595 167.6
[M]- 273.13705 167.6
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