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]+ 313.109536 168.7
[M+Na]+ 335.091478 177.8
[M-H]- 311.094984 176.9
[M+NH4]+ 330.136083 182.2
[M+K]+ 351.065418 173.7
[M+H-H2O]+ 295.099520 158.8
[M+HCOO]- 357.100461 194.1
[M+CH3COO]- 371.116111 180.8
[M+Na-2H]- 333.076926 171.6
[M]+ 312.10171142 170.2
[M]- 312.10280858 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.