CID 33169

25782-06-3

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]+ 296.128126 168.6
[M+Na]+ 318.110068 178.8
[M-H]- 294.113574 177.4
[M+NH4]+ 313.154673 183.7
[M+K]+ 334.084008 175.3
[M+H-H2O]+ 278.118110 160.3
[M+HCOO]- 340.119051 191.5
[M+CH3COO]- 354.134701 207.7
[M+Na-2H]- 316.095516 174.0
[M]+ 295.12030142 172.3
[M]- 295.12139858 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.