CID 9574534

2,3-diaza-4-[3-(1,1-difluoroethyl)phenyl]-1-methoxy-1-(4-pyridyl)buta-1,3-diene

Structural Information

Molecular Formula
C16H15F2N3O
SMILES
CC(C1=CC=CC(=C1)/C=N/N=C(/C2=CC=NC=C2)\OC)(F)F
InChI
InChI=1S/C16H15F2N3O/c1-16(17,18)14-5-3-4-12(10-14)11-20-21-15(22-2)13-6-8-19-9-7-13/h3-11H,1-2H3/b20-11+,21-15-
InChIKey
HRUXYAXWCWFAHG-BALAVPJISA-N
Compound name
methyl (NE,4Z)-N-[[3-(1,1-difluoroethyl)phenyl]methylidene]pyridine-4-carbohydrazonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.11832 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12560 169.0
[M+Na]+ 326.10754 175.8
[M-H]- 302.11104 174.1
[M+NH4]+ 321.15214 183.0
[M+K]+ 342.08148 172.2
[M+H-H2O]+ 286.11558 157.7
[M+HCOO]- 348.11652 192.3
[M+CH3COO]- 362.13217 211.7
[M+Na-2H]- 324.09299 175.3
[M]+ 303.11777 168.3
[M]- 303.11887 168.3
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.