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]+ 265.048676 156.1
[M+Na]+ 287.030618 165.8
[M-H]- 263.034124 161.1
[M+NH4]+ 282.075223 172.2
[M+K]+ 303.004558 161.0
[M+H-H2O]+ 247.038660 148.1
[M+HCOO]- 309.039601 176.8
[M+CH3COO]- 323.055251 198.1
[M+Na-2H]- 285.016066 160.3
[M]+ 264.04085142 158.4
[M]- 264.04194858 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.