CID 5395261

307349-41-3

Structural Information

Molecular Formula
C16H13FN4O2
SMILES
CC1=CC=C(O1)C2=CC(=NN2)C(=O)N/N=C\C3=CC=C(C=C3)F
InChI
InChI=1S/C16H13FN4O2/c1-10-2-7-15(23-10)13-8-14(20-19-13)16(22)21-18-9-11-3-5-12(17)6-4-11/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9-
InChIKey
LOSCRGHZFGJZDU-NVMNQCDNSA-N
Compound name
N-[(Z)-(4-fluorophenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.10226 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10954 168.7
[M+Na]+ 335.09148 177.8
[M-H]- 311.09498 176.9
[M+NH4]+ 330.13608 182.2
[M+K]+ 351.06542 173.7
[M+H-H2O]+ 295.09952 158.8
[M+HCOO]- 357.10046 194.1
[M+CH3COO]- 371.11611 180.8
[M+Na-2H]- 333.07693 171.6
[M]+ 312.10171 170.2
[M]- 312.10281 170.2
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.