CID 49736

Brn 1269203

Structural Information

Molecular Formula
C23H25NO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCCC3)OC)C4=CC=CC=C4
InChI
InChI=1S/C23H25NO3/c1-16-21(25)18-11-12-20(26-2)19(15-24-13-7-4-8-14-24)23(18)27-22(16)17-9-5-3-6-10-17/h3,5-6,9-12H,4,7-8,13-15H2,1-2H3
InChIKey
FVNJVRHWAQUWMJ-UHFFFAOYSA-N
Compound name
7-methoxy-3-methyl-2-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

363.18344 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.190716 189.4
[M+Na]+ 386.172658 196.3
[M-H]- 362.176164 198.7
[M+NH4]+ 381.217263 199.8
[M+K]+ 402.146598 191.8
[M+H-H2O]+ 346.180700 178.2
[M+HCOO]- 408.181641 205.6
[M+CH3COO]- 422.197291 199.0
[M+Na-2H]- 384.158106 191.7
[M]+ 363.18289142 189.5
[M]- 363.18398858 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.