CID 135641929

N'-(5-br-2-ho-benzylidene)3-(4-((4-me-benzyl)oxy)ph)1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C25H21BrN4O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=C(C=CC(=C4)Br)O
InChI
InChI=1S/C25H21BrN4O3/c1-16-2-4-17(5-3-16)15-33-21-9-6-18(7-10-21)22-13-23(29-28-22)25(32)30-27-14-19-12-20(26)8-11-24(19)31/h2-14,31H,15H2,1H3,(H,28,29)(H,30,32)/b27-14+
InChIKey
MBIBCJHVVJSFCV-MZJWZYIUSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)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

504.0797 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.08698 210.7
[M+Na]+ 527.06892 218.5
[M-H]- 503.07242 221.9
[M+NH4]+ 522.11352 218.6
[M+K]+ 543.04286 204.7
[M+H-H2O]+ 487.07696 205.4
[M+HCOO]- 549.07790 229.6
[M+CH3COO]- 563.09355 219.9
[M+Na-2H]- 525.05437 212.1
[M]+ 504.07915 229.0
[M]- 504.08025 229.0
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.