CID 5271436

Chembl7346

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(C(C=C3C)(C)C)C
InChI
InChI=1S/C23H27N3O3/c1-6-29-21(27)16-7-9-17(10-8-16)24-22(28)25-18-11-12-20-19(13-18)15(2)14-23(3,4)26(20)5/h7-14H,6H2,1-5H3,(H2,24,25,28)
InChIKey
ZVWKCOYLOJPZKR-UHFFFAOYSA-N
Compound name
ethyl 4-[(1,2,2,4-tetramethylquinolin-6-yl)carbamoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

393.20523 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 196.8
[M+Na]+ 416.19445 203.4
[M-H]- 392.19795 203.0
[M+NH4]+ 411.23905 209.4
[M+K]+ 432.16839 199.4
[M+H-H2O]+ 376.20249 187.4
[M+HCOO]- 438.20343 215.9
[M+CH3COO]- 452.21908 229.7
[M+Na-2H]- 414.17990 198.7
[M]+ 393.20468 199.1
[M]- 393.20578 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe