CID 49666

8-(benzylaminomethyl)-3-ethyl-7-methoxyflavone hydrochloride

Structural Information

Molecular Formula
C26H25NO3
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CNCC3=CC=CC=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C26H25NO3/c1-3-20-24(28)21-14-15-23(29-2)22(17-27-16-18-10-6-4-7-11-18)26(21)30-25(20)19-12-8-5-9-13-19/h4-15,27H,3,16-17H2,1-2H3
InChIKey
IUJITVKYCWGYLJ-UHFFFAOYSA-N
Compound name
8-[(benzylamino)methyl]-3-ethyl-7-methoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.18344 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19072 200.0
[M+Na]+ 422.17266 207.6
[M-H]- 398.17616 211.2
[M+NH4]+ 417.21726 210.1
[M+K]+ 438.14660 202.5
[M+H-H2O]+ 382.18070 188.8
[M+HCOO]- 444.18164 221.7
[M+CH3COO]- 458.19729 210.0
[M+Na-2H]- 420.15811 204.2
[M]+ 399.18289 204.2
[M]- 399.18399 204.2
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.