CID 4738071

763111-31-5

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 178.9
[M+Na]+ 365.07757 191.9
[M+NH4]+ 360.12217 185.4
[M+K]+ 381.05151 186.7
[M-H]- 341.08107 183.7
[M+Na-2H]- 363.06302 187.4
[M]+ 342.08780 182.1
[M]- 342.08890 182.1
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.