CID 9594610

N'-(4-bromobenzylidene)-3-(2-ethoxyphenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C19H17BrN4O2
SMILES
CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H17BrN4O2/c1-2-26-18-6-4-3-5-15(18)16-11-17(23-22-16)19(25)24-21-12-13-7-9-14(20)10-8-13/h3-12H,2H2,1H3,(H,22,23)(H,24,25)/b21-12+
InChIKey
HJBSKQHIXXBTIM-CIAFOILYSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.0535 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.06078 186.8
[M+Na]+ 435.04272 195.7
[M-H]- 411.04622 196.3
[M+NH4]+ 430.08732 199.3
[M+K]+ 451.01666 182.5
[M+H-H2O]+ 395.05076 182.4
[M+HCOO]- 457.05170 208.1
[M+CH3COO]- 471.06735 221.2
[M+Na-2H]- 433.02817 190.7
[M]+ 412.05295 205.6
[M]- 412.05405 205.6
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.