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 196.2
[M+Na]+ 419.15774 203.4
[M-H]- 395.16124 204.5
[M+NH4]+ 414.20234 206.4
[M+K]+ 435.13168 201.6
[M+H-H2O]+ 379.16578 187.0
[M+HCOO]- 441.16672 216.5
[M+CH3COO]- 455.18237 229.6
[M+Na-2H]- 417.14319 200.2
[M]+ 396.16797 201.5
[M]- 396.16907 201.5
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

patents stripe