CID 5746046

Chromone, 8-(benzylamino)methyl-3-ethyl-7-hydroxy-2-methyl-, hydrochloride

Structural Information

Molecular Formula
C20H21NO3
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CNCC3=CC=CC=C3)O)C
InChI
InChI=1S/C20H21NO3/c1-3-15-13(2)24-20-16(19(15)23)9-10-18(22)17(20)12-21-11-14-7-5-4-6-8-14/h4-10,21-22H,3,11-12H2,1-2H3
InChIKey
IJGFYEAMXVHNCV-UHFFFAOYSA-N
Compound name
8-[(benzylamino)methyl]-3-ethyl-7-hydroxy-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.159406 177.3
[M+Na]+ 346.141348 186.1
[M-H]- 322.144854 184.8
[M+NH4]+ 341.185953 190.7
[M+K]+ 362.115288 181.7
[M+H-H2O]+ 306.149390 168.8
[M+HCOO]- 368.150331 198.6
[M+CH3COO]- 382.165981 211.8
[M+Na-2H]- 344.126796 182.2
[M]+ 323.15158142 180.8
[M]- 323.15267858 180.8
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.