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 168.6
[M+Na]+ 318.11007 178.8
[M-H]- 294.11357 177.4
[M+NH4]+ 313.15467 183.7
[M+K]+ 334.08401 175.3
[M+H-H2O]+ 278.11811 160.3
[M+HCOO]- 340.11905 191.5
[M+CH3COO]- 354.13470 207.7
[M+Na-2H]- 316.09552 174.0
[M]+ 295.12030 172.3
[M]- 295.12140 172.3
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.