CID 27712

Rec 7-0078

Structural Information

Molecular Formula
C21H21NO3
SMILES
CC1=C(OC2=C(C1=O)C=C(C=C2)CN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H21NO3/c1-15-20(23)18-13-16(14-22-9-11-24-12-10-22)7-8-19(18)25-21(15)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3
InChIKey
MURLVRWMHBUXHI-UHFFFAOYSA-N
Compound name
3-methyl-6-(morpholin-4-ylmethyl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.15213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15941 180.9
[M+Na]+ 358.14135 188.1
[M-H]- 334.14485 190.9
[M+NH4]+ 353.18595 190.9
[M+K]+ 374.11529 185.0
[M+H-H2O]+ 318.14939 170.1
[M+HCOO]- 380.15033 196.9
[M+CH3COO]- 394.16598 191.2
[M+Na-2H]- 356.12680 185.5
[M]+ 335.15158 180.6
[M]- 335.15268 180.6
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.