CID 135547161

403649-64-9

Structural Information

Molecular Formula
C17H12BrFN4O2
SMILES
C1=CC(=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)O)F
InChI
InChI=1S/C17H12BrFN4O2/c18-12-3-6-16(24)11(7-12)9-20-23-17(25)15-8-14(21-22-15)10-1-4-13(19)5-2-10/h1-9,24H,(H,21,22)(H,23,25)/b20-9+
InChIKey
LCSVTIBFCGBZTG-AWQFTUOYSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.01276 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.02004 182.4
[M+Na]+ 425.00198 192.6
[M-H]- 401.00548 190.1
[M+NH4]+ 420.04658 194.8
[M+K]+ 440.97592 178.5
[M+H-H2O]+ 385.01002 177.8
[M+HCOO]- 447.01096 201.9
[M+CH3COO]- 461.02661 217.3
[M+Na-2H]- 422.98743 185.6
[M]+ 402.01221 198.3
[M]- 402.01331 198.3
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.