CID 11835

Fla 22

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CN(C)CCCNC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C22H24N2O4/c1-24(2)12-6-11-23-22(26)15-27-17-9-10-18-19(25)14-20(28-21(18)13-17)16-7-4-3-5-8-16/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,23,26)
InChIKey
RXBGAHUJPMHDIW-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 191.8
[M+Na]+ 403.16282 204.9
[M+NH4]+ 398.20742 198.4
[M+K]+ 419.13676 197.6
[M-H]- 379.16632 198.4
[M+Na-2H]- 401.14827 198.8
[M]+ 380.17305 195.5
[M]- 380.17415 195.5
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.