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]+ 381.180876 192.4
[M+Na]+ 403.162818 197.8
[M-H]- 379.166324 201.5
[M+NH4]+ 398.207423 203.4
[M+K]+ 419.136758 195.9
[M+H-H2O]+ 363.170860 182.1
[M+HCOO]- 425.171801 215.3
[M+CH3COO]- 439.187451 227.7
[M+Na-2H]- 401.148266 196.8
[M]+ 380.17305142 197.9
[M]- 380.17414858 197.9
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.