CID 16637156

3-(2,5-dimethylphenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C12H14N4O
SMILES
CC1=CC(=C(C=C1)C)C2=NNC(=C2)C(=O)NN
InChI
InChI=1S/C12H14N4O/c1-7-3-4-8(2)9(5-7)10-6-11(16-15-10)12(17)14-13/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKey
YTHQGRVYNBONOR-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-1H-pyrazole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.124036 152.1
[M+Na]+ 253.105978 160.2
[M-H]- 229.109484 155.5
[M+NH4]+ 248.150583 168.0
[M+K]+ 269.079918 155.8
[M+H-H2O]+ 213.114020 144.0
[M+HCOO]- 275.114961 174.8
[M+CH3COO]- 289.130611 193.0
[M+Na-2H]- 251.091426 154.9
[M]+ 230.11621142 149.3
[M]- 230.11730858 149.3
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.