CID 33169

8-(aminomethyl)-7-methoxy-3-methylflavone hydrochloride

Structural Information

Molecular Formula
C18H17NO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN)OC)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO3/c1-11-16(20)13-8-9-15(21-2)14(10-19)18(13)22-17(11)12-6-4-3-5-7-12/h3-9H,10,19H2,1-2H3
InChIKey
IJVLQYUNNWZDPO-UHFFFAOYSA-N
Compound name
8-(aminomethyl)-7-methoxy-3-methyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 167.7
[M+Na]+ 318.11007 184.2
[M+NH4]+ 313.15467 176.3
[M+K]+ 334.08401 176.2
[M-H]- 294.11357 175.0
[M+Na-2H]- 316.09552 176.0
[M]+ 295.12030 172.4
[M]- 295.12140 172.4
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.