CID 44722218

303106-42-5

Structural Information

Molecular Formula
C16H13BrN4O2
SMILES
CC1=CC=C(O1)C2=CC(=NN2)C(=O)N/N=C/C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H13BrN4O2/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
KCXZHUIZCGJVFQ-GIJQJNRQSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.0222 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.02948 184.3
[M+Na]+ 395.01142 187.2
[M+NH4]+ 390.05602 186.9
[M+K]+ 410.98536 189.9
[M-H]- 371.01492 187.8
[M+Na-2H]- 392.99687 188.0
[M]+ 372.02165 184.4
[M]- 372.02275 184.4
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.