CID 9574536

2,3-diaza-4-methoxy-4-(4-pyridyl)buta-1,3-dienyl)-2-fluoro-1-methoxybenzene

Structural Information

Molecular Formula
C15H14FN3O2
SMILES
COC1=C(C=C(C=C1)/C=N/N=C(/C2=CC=NC=C2)\OC)F
InChI
InChI=1S/C15H14FN3O2/c1-20-14-4-3-11(9-13(14)16)10-18-19-15(21-2)12-5-7-17-8-6-12/h3-10H,1-2H3/b18-10+,19-15-
InChIKey
ZVSJOPLWXMDZMC-QGQCHRHASA-N
Compound name
methyl (NE,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.107 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11428 164.3
[M+Na]+ 310.09622 171.9
[M-H]- 286.09972 171.2
[M+NH4]+ 305.14082 179.2
[M+K]+ 326.07016 169.1
[M+H-H2O]+ 270.10426 153.6
[M+HCOO]- 332.10520 190.9
[M+CH3COO]- 346.12085 208.9
[M+Na-2H]- 308.08167 170.4
[M]+ 287.10645 166.8
[M]- 287.10755 166.8
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.