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]+ 324.15941 177.3
[M+Na]+ 346.14135 186.1
[M-H]- 322.14485 184.8
[M+NH4]+ 341.18595 190.7
[M+K]+ 362.11529 181.7
[M+H-H2O]+ 306.14939 168.8
[M+HCOO]- 368.15033 198.6
[M+CH3COO]- 382.16598 211.8
[M+Na-2H]- 344.12680 182.2
[M]+ 323.15158 180.8
[M]- 323.15268 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.