CID 54689808

3-((2-(diisobutylamino)ethyl)carbamoyl)-4-hydroxycoumarin hydrochloride

Structural Information

Molecular Formula
C20H28N2O4
SMILES
CC(C)CN(CCNC(=O)C1=C(C2=CC=CC=C2OC1=O)O)CC(C)C
InChI
InChI=1S/C20H28N2O4/c1-13(2)11-22(12-14(3)4)10-9-21-19(24)17-18(23)15-7-5-6-8-16(15)26-20(17)25/h5-8,13-14,23H,9-12H2,1-4H3,(H,21,24)
InChIKey
NTEZDXDBDGOCHR-UHFFFAOYSA-N
Compound name
N-[2-[bis(2-methylpropyl)amino]ethyl]-4-hydroxy-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.2049 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21218 188.1
[M+Na]+ 383.19412 197.4
[M+NH4]+ 378.23872 193.2
[M+K]+ 399.16806 193.0
[M-H]- 359.19762 190.9
[M+Na-2H]- 381.17957 190.2
[M]+ 360.20435 189.9
[M]- 360.20545 189.9
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.