CID 58373

101442-02-8

Structural Information

Molecular Formula
C17H15NO2
SMILES
CC1=C(OC2=C(C1=O)C=C(C=C2)CN)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO2/c1-11-16(19)14-9-12(10-18)7-8-15(14)20-17(11)13-5-3-2-4-6-13/h2-9H,10,18H2,1H3
InChIKey
VKOMSYJXGREGEQ-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-3-methyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.1103 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 160.3
[M+Na]+ 288.09952 170.3
[M-H]- 264.10302 169.0
[M+NH4]+ 283.14412 176.4
[M+K]+ 304.07346 166.2
[M+H-H2O]+ 248.10756 152.3
[M+HCOO]- 310.10850 183.4
[M+CH3COO]- 324.12415 173.3
[M+Na-2H]- 286.08497 167.0
[M]+ 265.10975 161.8
[M]- 265.11085 161.8
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

patents stripe