CID 86261447

N'-(5-bromo-2-hydroxybenzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H12BrN5O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C17H12BrN5O4/c18-12-4-5-16(24)11(6-12)9-19-22-17(25)15-8-14(20-21-15)10-2-1-3-13(7-10)23(26)27/h1-9,24H,(H,20,21)(H,22,25)/b19-9+
InChIKey
TWDBYFVPQAWTNI-DJKKODMXSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.00726 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.01454 185.7
[M+Na]+ 451.99648 193.0
[M-H]- 427.99998 194.5
[M+NH4]+ 447.04108 195.7
[M+K]+ 467.97042 176.2
[M+H-H2O]+ 412.00452 185.1
[M+HCOO]- 474.00546 206.8
[M+CH3COO]- 488.02111 215.6
[M+Na-2H]- 449.98193 191.9
[M]+ 429.00671 201.3
[M]- 429.00781 201.3
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.