CID 54689802

1564-91-6

Structural Information

Molecular Formula
C23H34N2O4
SMILES
CCCCN(CCCC)CCCCNC(=O)C1=C(C2=CC=CC(=C2OC1=O)C)O
InChI
InChI=1S/C23H34N2O4/c1-4-6-14-25(15-7-5-2)16-9-8-13-24-22(27)19-20(26)18-12-10-11-17(3)21(18)29-23(19)28/h10-12,26H,4-9,13-16H2,1-3H3,(H,24,27)
InChIKey
NKNNOTOVSHKMNG-UHFFFAOYSA-N
Compound name
N-[4-(dibutylamino)butyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.25186 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.25914 203.4
[M+Na]+ 425.24108 207.6
[M-H]- 401.24458 207.5
[M+NH4]+ 420.28568 213.8
[M+K]+ 441.21502 205.1
[M+H-H2O]+ 385.24912 194.3
[M+HCOO]- 447.25006 223.1
[M+CH3COO]- 461.26571 233.7
[M+Na-2H]- 423.22653 203.6
[M]+ 402.25131 210.6
[M]- 402.25241 210.6
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.