CID 5342787

89270-42-8

Structural Information

Molecular Formula
C12H10Cl2N4O
SMILES
CC1=CC(=NN1)C(=O)N/N=C/C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H10Cl2N4O/c1-7-5-11(17-16-7)12(19)18-15-6-8-9(13)3-2-4-10(8)14/h2-6H,1H3,(H,16,17)(H,18,19)/b15-6+
InChIKey
GWRQCZYRXNULEX-GIDUJCDVSA-N
Compound name
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.02316 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03044 165.6
[M+Na]+ 319.01238 175.3
[M-H]- 295.01588 169.5
[M+NH4]+ 314.05698 180.9
[M+K]+ 334.98632 168.5
[M+H-H2O]+ 279.02042 157.8
[M+HCOO]- 341.02136 180.5
[M+CH3COO]- 355.03701 202.6
[M+Na-2H]- 316.99783 168.2
[M]+ 296.02261 167.8
[M]- 296.02371 167.8
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.