CID 9574532

2,3-diaza-4-(3-fluorophenyl)-1-methoxy-1-(4-pyridyl)buta-1,3-diene

Structural Information

Molecular Formula
C14H12FN3O
SMILES
CO/C(=N\N=C\C1=CC(=CC=C1)F)/C2=CC=NC=C2
InChI
InChI=1S/C14H12FN3O/c1-19-14(12-5-7-16-8-6-12)18-17-10-11-3-2-4-13(15)9-11/h2-10H,1H3/b17-10+,18-14-
InChIKey
BYYMQGRKZYVYAI-CEKGWZEMSA-N
Compound name
methyl (NE,4Z)-N-[(3-fluorophenyl)methylidene]pyridine-4-carbohydrazonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.09644 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10372 156.4
[M+Na]+ 280.08566 163.6
[M-H]- 256.08916 163.0
[M+NH4]+ 275.13026 172.4
[M+K]+ 296.05960 160.5
[M+H-H2O]+ 240.09370 146.0
[M+HCOO]- 302.09464 183.1
[M+CH3COO]- 316.11029 202.6
[M+Na-2H]- 278.07111 163.8
[M]+ 257.09589 156.8
[M]- 257.09699 156.8
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.