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]+ 403.259136 203.4
[M+Na]+ 425.241078 207.6
[M-H]- 401.244584 207.5
[M+NH4]+ 420.285683 213.8
[M+K]+ 441.215018 205.1
[M+H-H2O]+ 385.249120 194.3
[M+HCOO]- 447.250061 223.1
[M+CH3COO]- 461.265711 233.7
[M+Na-2H]- 423.226526 203.6
[M]+ 402.25131142 210.6
[M]- 402.25240858 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.