CID 54689804

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

Structural Information

Molecular Formula
C20H28N2O4
SMILES
CCCCN(CCCC)CCNC(=O)C1=C(C2=CC=CC=C2OC1=O)O
InChI
InChI=1S/C20H28N2O4/c1-3-5-12-22(13-6-4-2)14-11-21-19(24)17-18(23)15-9-7-8-10-16(15)26-20(17)25/h7-10,23H,3-6,11-14H2,1-2H3,(H,21,24)
InChIKey
PBUFSQGVBJQMEV-UHFFFAOYSA-N
Compound name
N-[2-(dibutylamino)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

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21218 189.3
[M+Na]+ 383.19412 194.0
[M-H]- 359.19762 193.7
[M+NH4]+ 378.23872 201.2
[M+K]+ 399.16806 192.0
[M+H-H2O]+ 343.20216 180.6
[M+HCOO]- 405.20310 210.1
[M+CH3COO]- 419.21875 223.5
[M+Na-2H]- 381.17957 191.8
[M]+ 360.20435 195.1
[M]- 360.20545 195.1
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.