CID 5271439

Chembl7420

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC3=C2OC(CC3(C)C)(C)C
InChI
InChI=1S/C23H28N2O4/c1-6-28-20(26)15-10-12-16(13-11-15)24-21(27)25-18-9-7-8-17-19(18)29-23(4,5)14-22(17,2)3/h7-13H,6,14H2,1-5H3,(H2,24,25,27)
InChIKey
NJCYNYLEPDBMOJ-UHFFFAOYSA-N
Compound name
ethyl 4-[(2,2,4,4-tetramethyl-3H-chromen-8-yl)carbamoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

396.2049 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 196.2
[M+Na]+ 419.19412 202.2
[M-H]- 395.19762 204.1
[M+NH4]+ 414.23872 210.6
[M+K]+ 435.16806 200.6
[M+H-H2O]+ 379.20216 188.0
[M+HCOO]- 441.20310 214.5
[M+CH3COO]- 455.21875 228.2
[M+Na-2H]- 417.17957 199.9
[M]+ 396.20435 198.8
[M]- 396.20545 198.8
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.