CID 2726047

Ns00016182

Structural Information

Molecular Formula
C19H16N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=O)CCC3=CC=C(C=C3)O
InChI
InChI=1S/C19H16N2O4/c22-15-8-5-13(6-9-15)7-10-18(23)21-20-11-14-12-25-17-4-2-1-3-16(17)19(14)24/h1-6,8-9,11-12,22H,7,10H2,(H,21,23)
InChIKey
TTYAJTCHBAXHGP-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-N-[(4-oxochromen-3-yl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.118276 176.9
[M+Na]+ 359.100218 184.1
[M-H]- 335.103724 185.3
[M+NH4]+ 354.144823 189.3
[M+K]+ 375.074158 180.7
[M+H-H2O]+ 319.108260 167.6
[M+HCOO]- 381.109201 200.7
[M+CH3COO]- 395.124851 214.3
[M+Na-2H]- 357.085666 183.8
[M]+ 336.11045142 179.6
[M]- 336.11154858 179.6
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.