CID 135446778

Chembl444357

Structural Information

Molecular Formula
C15H16N4O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=NNC(=C2)C3CC3)O
InChI
InChI=1S/C15H16N4O3/c1-22-14-6-9(2-5-13(14)20)8-16-19-15(21)12-7-11(17-18-12)10-3-4-10/h2,5-8,10,20H,3-4H2,1H3,(H,17,18)(H,19,21)/b16-8+
InChIKey
FOSVMOOLLRITGF-LZYBPNLTSA-N
Compound name
5-cyclopropyl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

300.12225 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 167.1
[M+Na]+ 323.11147 175.7
[M-H]- 299.11497 174.2
[M+NH4]+ 318.15607 175.5
[M+K]+ 339.08541 169.6
[M+H-H2O]+ 283.11951 158.8
[M+HCOO]- 345.12045 190.4
[M+CH3COO]- 359.13610 206.5
[M+Na-2H]- 321.09692 170.0
[M]+ 300.12170 169.6
[M]- 300.12280 169.6
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.