CID 512610

N-[[1-(4-chlorophenyl)-4-hydroxy-pyrazole-3-carbonyl]amino]formamide

Structural Information

Molecular Formula
C11H9ClN4O3
SMILES
C1=CC(=CC=C1N2C=C(C(=N2)C(=O)NNC=O)O)Cl
InChI
InChI=1S/C11H9ClN4O3/c12-7-1-3-8(4-2-7)16-5-9(18)10(15-16)11(19)14-13-6-17/h1-6,18H,(H,13,17)(H,14,19)
InChIKey
QRIPROFBFHQXFJ-UHFFFAOYSA-N
Compound name
N-[[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]amino]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.03632 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04360 158.3
[M+Na]+ 303.02554 167.3
[M-H]- 279.02904 162.1
[M+NH4]+ 298.07014 172.9
[M+K]+ 318.99948 162.5
[M+H-H2O]+ 263.03358 150.4
[M+HCOO]- 325.03452 177.8
[M+CH3COO]- 339.05017 198.0
[M+Na-2H]- 301.01099 162.3
[M]+ 280.03577 160.2
[M]- 280.03687 160.2
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.