CID 9579174

Mls001224374

Structural Information

Molecular Formula
C16H10ClN3O3
SMILES
C1=CC2=C(C=C1Cl)C(=O)C(=CO2)/C=N/NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C16H10ClN3O3/c17-12-1-2-14-13(7-12)15(21)11(9-23-14)8-19-20-16(22)10-3-5-18-6-4-10/h1-9H,(H,20,22)/b19-8+
InChIKey
XMDBONHIROJGRV-UFWORHAWSA-N
Compound name
N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

327.04108 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.04836 172.4
[M+Na]+ 350.03030 182.2
[M-H]- 326.03380 181.0
[M+NH4]+ 345.07490 185.5
[M+K]+ 366.00424 177.8
[M+H-H2O]+ 310.03834 163.3
[M+HCOO]- 372.03928 192.6
[M+CH3COO]- 386.05493 184.4
[M+Na-2H]- 348.01575 180.6
[M]+ 327.04053 177.3
[M]- 327.04163 177.3
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.