CID 6888643

N'-(3-bromobenzylidene)-3-(4-((4-me-benzyl)oxy)ph)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C25H21BrN4O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC(=CC=C4)Br
InChI
InChI=1S/C25H21BrN4O2/c1-17-5-7-18(8-6-17)16-32-22-11-9-20(10-12-22)23-14-24(29-28-23)25(31)30-27-15-19-3-2-4-21(26)13-19/h2-15H,16H2,1H3,(H,28,29)(H,30,31)/b27-15+
InChIKey
YXHDGSYCWGMMFH-JFLMPSFJSA-N
Compound name
N-[(E)-(3-bromophenyl)methylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.08478 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.09206 208.3
[M+Na]+ 511.07400 216.1
[M-H]- 487.07750 220.4
[M+NH4]+ 506.11860 217.3
[M+K]+ 527.04794 202.2
[M+H-H2O]+ 471.08204 202.9
[M+HCOO]- 533.08298 228.5
[M+CH3COO]- 547.09863 218.0
[M+Na-2H]- 509.05945 210.6
[M]+ 488.08423 226.6
[M]- 488.08533 226.6
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.