CID 512617

1-(4-chlorophenyl)-4-hydroxy-n-(methyleneamino)pyrazole-3-carboxamide

Structural Information

Molecular Formula
C11H9ClN4O2
SMILES
C=NNC(=O)C1=NN(C=C1O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9ClN4O2/c1-13-14-11(18)10-9(17)6-16(15-10)8-4-2-7(12)3-5-8/h2-6,17H,1H2,(H,14,18)
InChIKey
OMEZKVVMSXPRHI-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-hydroxy-N-(methylideneamino)pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.0414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04868 156.1
[M+Na]+ 287.03062 165.8
[M-H]- 263.03412 161.1
[M+NH4]+ 282.07522 172.2
[M+K]+ 303.00456 161.0
[M+H-H2O]+ 247.03866 148.1
[M+HCOO]- 309.03960 176.8
[M+CH3COO]- 323.05525 198.1
[M+Na-2H]- 285.01607 160.3
[M]+ 264.04085 158.4
[M]- 264.04195 158.4
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.