CID 9579173

Mls001224376

Structural Information

Molecular Formula
C17H13N3O3
SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)/C=N/NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C17H13N3O3/c1-11-2-3-15-14(8-11)16(21)13(10-23-15)9-19-20-17(22)12-4-6-18-7-5-12/h2-10H,1H3,(H,20,22)/b19-9+
InChIKey
BDICPTOBFZWTDL-DJKKODMXSA-N
Compound name
N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

307.0957 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10298 169.8
[M+Na]+ 330.08492 178.5
[M-H]- 306.08842 178.5
[M+NH4]+ 325.12952 182.8
[M+K]+ 346.05886 175.3
[M+H-H2O]+ 290.09296 159.9
[M+HCOO]- 352.09390 194.3
[M+CH3COO]- 366.10955 211.1
[M+Na-2H]- 328.07037 178.1
[M]+ 307.09515 172.7
[M]- 307.09625 172.7
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.