CID 49704

4'-methoxy-3-methyl-3'-(piperidinomethyl)flavone hydrochloride

Structural Information

Molecular Formula
C23H25NO3
SMILES
CC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)OC)CN4CCCCC4
InChI
InChI=1S/C23H25NO3/c1-16-22(25)19-8-4-5-9-21(19)27-23(16)17-10-11-20(26-2)18(14-17)15-24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3
InChIKey
JSXFQPBYCFQGEJ-UHFFFAOYSA-N
Compound name
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 189.4
[M+Na]+ 386.17266 196.3
[M-H]- 362.17616 198.7
[M+NH4]+ 381.21726 199.8
[M+K]+ 402.14660 191.8
[M+H-H2O]+ 346.18070 178.2
[M+HCOO]- 408.18164 205.6
[M+CH3COO]- 422.19729 199.0
[M+Na-2H]- 384.15811 191.7
[M]+ 363.18289 189.5
[M]- 363.18399 189.5
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.