CID 135519131

Chembl194550

Structural Information

Molecular Formula
C14H14N4O3
SMILES
C1CC1C2=CC(=NN2)C(=O)N/N=C/C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C14H14N4O3/c19-10-4-3-9(13(20)5-10)7-15-18-14(21)12-6-11(16-17-12)8-1-2-8/h3-8,19-20H,1-2H2,(H,16,17)(H,18,21)/b15-7+
InChIKey
RHUYPYMXHNDYSC-VIZOYTHASA-N
Compound name
5-cyclopropyl-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.1066 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11388 161.6
[M+Na]+ 309.09582 170.3
[M-H]- 285.09932 167.6
[M+NH4]+ 304.14042 169.9
[M+K]+ 325.06976 163.5
[M+H-H2O]+ 269.10386 153.8
[M+HCOO]- 331.10480 183.8
[M+CH3COO]- 345.12045 201.5
[M+Na-2H]- 307.08127 164.7
[M]+ 286.10605 162.1
[M]- 286.10715 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.