CID 54688505

Hydroxycoumarin deriv. 30

Structural Information

Molecular Formula
C19H17NO5
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)CCCOC3=CC=CC(=C3)C(=O)N)O
InChI
InChI=1S/C19H17NO5/c20-18(22)12-5-3-6-13(11-12)24-10-4-8-15-17(21)14-7-1-2-9-16(14)25-19(15)23/h1-3,5-7,9,11,21H,4,8,10H2,(H2,20,22)
InChIKey
CYGKOPDXTIMJPS-UHFFFAOYSA-N
Compound name
3-[3-(4-hydroxy-2-oxochromen-3-yl)propoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.1107 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 177.8
[M+Na]+ 362.09992 185.7
[M-H]- 338.10342 184.7
[M+NH4]+ 357.14452 189.6
[M+K]+ 378.07386 182.6
[M+H-H2O]+ 322.10796 169.0
[M+HCOO]- 384.10890 198.3
[M+CH3COO]- 398.12455 211.9
[M+Na-2H]- 360.08537 182.1
[M]+ 339.11015 181.1
[M]- 339.11125 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.