CID 4738071

3-(4-((4-chlorobenzyl)oxy)phenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H15ClN4O2
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)NN)Cl
InChI
InChI=1S/C17H15ClN4O2/c18-13-5-1-11(2-6-13)10-24-14-7-3-12(4-8-14)15-9-16(22-21-15)17(23)20-19/h1-9H,10,19H2,(H,20,23)(H,21,22)
InChIKey
RYHCEMIKDJKLNE-UHFFFAOYSA-N
Compound name
3-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.08835 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09563 177.2
[M+Na]+ 365.07757 184.8
[M-H]- 341.08107 183.1
[M+NH4]+ 360.12217 188.7
[M+K]+ 381.05151 177.8
[M+H-H2O]+ 325.08561 167.7
[M+HCOO]- 387.08655 195.0
[M+CH3COO]- 401.10220 187.1
[M+Na-2H]- 363.06302 179.5
[M]+ 342.08780 177.3
[M]- 342.08890 177.3
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.