CID 54688616

19225-14-0

Structural Information

Molecular Formula
C18H22ClNO4
SMILES
CCCCCCCCNC(=O)C1=C(C2=C(C=CC(=C2)Cl)OC1=O)O
InChI
InChI=1S/C18H22ClNO4/c1-2-3-4-5-6-7-10-20-17(22)15-16(21)13-11-12(19)8-9-14(13)24-18(15)23/h8-9,11,21H,2-7,10H2,1H3,(H,20,22)
InChIKey
UARRCHVWPWIRML-UHFFFAOYSA-N
Compound name
6-chloro-4-hydroxy-N-octyl-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.12375 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.13103 181.9
[M+Na]+ 374.11297 190.1
[M-H]- 350.11647 185.7
[M+NH4]+ 369.15757 195.3
[M+K]+ 390.08691 185.4
[M+H-H2O]+ 334.12101 175.5
[M+HCOO]- 396.12195 197.5
[M+CH3COO]- 410.13760 213.9
[M+Na-2H]- 372.09842 184.8
[M]+ 351.12320 189.3
[M]- 351.12430 189.3
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.