CID 42601512

Hfi-419

Structural Information

Molecular Formula
C19H18N2O5
SMILES
CCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C=CC(=C2)O)NC(=O)C
InChI
InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)
InChIKey
GGBHINRNYAAYMX-UHFFFAOYSA-N
Compound name
ethyl 2-acetamido-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

354.12158 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12886 182.6
[M+Na]+ 377.11080 189.2
[M-H]- 353.11430 188.4
[M+NH4]+ 372.15540 192.6
[M+K]+ 393.08474 187.0
[M+H-H2O]+ 337.11884 173.2
[M+HCOO]- 399.11978 200.1
[M+CH3COO]- 413.13543 215.0
[M+Na-2H]- 375.09625 185.9
[M]+ 354.12103 185.2
[M]- 354.12213 185.2
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

patents stripe