CID 3395435

5-(4-fluorophenyl)-1h-pyrazole-3-carboxylic acid 2-(2-bromo-3-phenyl-2-propen-1-ylidene)hydrazide

Structural Information

Molecular Formula
C19H14BrFN4O
SMILES
C1=CC=C(C=C1)C=C(C=NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)Br
InChI
InChI=1S/C19H14BrFN4O/c20-15(10-13-4-2-1-3-5-13)12-22-25-19(26)18-11-17(23-24-18)14-6-8-16(21)9-7-14/h1-12H,(H,23,24)(H,25,26)
InChIKey
QWIFAWVKGUBFEG-UHFFFAOYSA-N
Compound name
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.0335 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.04078 187.7
[M+Na]+ 435.02272 196.1
[M-H]- 411.02622 195.7
[M+NH4]+ 430.06732 199.9
[M+K]+ 450.99666 181.7
[M+H-H2O]+ 395.03076 182.7
[M+HCOO]- 457.03170 207.1
[M+CH3COO]- 471.04735 220.1
[M+Na-2H]- 433.00817 190.5
[M]+ 412.03295 202.7
[M]- 412.03405 202.7
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.