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

7
Patents

273.1365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.143776 162.2
[M+Na]+ 296.125718 172.0
[M-H]- 272.129224 168.4
[M+NH4]+ 291.170323 179.0
[M+K]+ 312.099658 169.8
[M+H-H2O]+ 256.133760 155.5
[M+HCOO]- 318.134701 184.3
[M+CH3COO]- 332.150351 206.4
[M+Na-2H]- 294.111166 166.4
[M]+ 273.13595142 167.6
[M]- 273.13704858 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