CID 46184240

Nibr-785

Structural Information

Molecular Formula
C22H24N2O5
SMILES
CCOC1=C(C=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=C(C=C3)C(C)(C)N)OC
InChI
InChI=1S/C22H24N2O5/c1-5-28-19-17(27-4)11-6-13-12-16(21(26)29-18(13)19)20(25)24-15-9-7-14(8-10-15)22(2,3)23/h6-12H,5,23H2,1-4H3,(H,24,25)
InChIKey
NFOLAKWLEGGBTA-UHFFFAOYSA-N
Compound name
N-[4-(2-aminopropan-2-yl)phenyl]-8-ethoxy-7-methoxy-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

396.16852 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17580 195.2
[M+Na]+ 419.15774 207.7
[M+NH4]+ 414.20234 200.6
[M+K]+ 435.13168 202.3
[M-H]- 395.16124 200.3
[M+Na-2H]- 417.14319 200.5
[M]+ 396.16797 198.4
[M]- 396.16907 198.4
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

patents stripe