CID 4738067

Oprea1_420143

Structural Information

Molecular Formula
C17H16N4O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)NN
InChI
InChI=1S/C17H16N4O2/c18-19-17(22)16-10-15(20-21-16)13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-10H,11,18H2,(H,19,22)(H,20,21)
InChIKey
QHJBILLNUCLTTA-UHFFFAOYSA-N
Compound name
3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12732 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.134596 169.0
[M+Na]+ 331.116538 174.9
[M-H]- 307.120044 174.8
[M+NH4]+ 326.161143 180.7
[M+K]+ 347.090478 169.4
[M+H-H2O]+ 291.124580 158.9
[M+HCOO]- 353.125521 191.5
[M+CH3COO]- 367.141171 179.1
[M+Na-2H]- 329.101986 172.8
[M]+ 308.12677142 166.5
[M]- 308.12786858 166.5
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.