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]+ 361.212176 190.0
[M+Na]+ 383.194118 194.1
[M-H]- 359.197624 194.5
[M+NH4]+ 378.238723 201.7
[M+K]+ 399.168058 193.4
[M+H-H2O]+ 343.202160 181.7
[M+HCOO]- 405.203101 208.8
[M+CH3COO]- 419.218751 225.4
[M+Na-2H]- 381.179566 190.1
[M]+ 360.20435142 194.6
[M]- 360.20544858 194.6
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.