CID 6891430

303103-99-3

Structural Information

Molecular Formula
C15H10BrFN4OS
SMILES
C1=CSC(=C1)C2=CC(=NN2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)F
InChI
InChI=1S/C15H10BrFN4OS/c16-10-3-4-11(17)9(6-10)8-18-21-15(22)13-7-12(19-20-13)14-2-1-5-23-14/h1-8H,(H,19,20)(H,21,22)/b18-8+
InChIKey
GYUSJFJRZQLYGF-QGMBQPNBSA-N
Compound name
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.97427 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.98155 177.3
[M+Na]+ 414.96349 179.2
[M+NH4]+ 410.00809 180.3
[M+K]+ 430.93743 180.1
[M-H]- 390.96699 179.0
[M+Na-2H]- 412.94894 181.5
[M]+ 391.97372 177.0
[M]- 391.97482 177.0
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.