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

11
Patents

396.16852 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.175796 196.2
[M+Na]+ 419.157738 203.4
[M-H]- 395.161244 204.5
[M+NH4]+ 414.202343 206.4
[M+K]+ 435.131678 201.6
[M+H-H2O]+ 379.165780 187.0
[M+HCOO]- 441.166721 216.5
[M+CH3COO]- 455.182371 229.6
[M+Na-2H]- 417.143186 200.2
[M]+ 396.16797142 201.5
[M]- 396.16906858 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