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 177.2
[M+Na]+ 395.01142 188.6
[M-H]- 371.01492 188.7
[M+NH4]+ 390.05602 192.1
[M+K]+ 410.98536 177.2
[M+H-H2O]+ 355.01946 174.2
[M+HCOO]- 417.02040 200.9
[M+CH3COO]- 431.03605 190.6
[M+Na-2H]- 392.99687 181.3
[M]+ 372.02165 197.8
[M]- 372.02275 197.8
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.