CID 3067265

81016-57-1

Structural Information

Molecular Formula
C11H12ClN5O
SMILES
CC1=C(C(=NN1)C(=O)NNC2=CC=CC=C2Cl)N
InChI
InChI=1S/C11H12ClN5O/c1-6-9(13)10(16-14-6)11(18)17-15-8-5-3-2-4-7(8)12/h2-5,15H,13H2,1H3,(H,14,16)(H,17,18)
InChIKey
MGPGJJSIWBYTPZ-UHFFFAOYSA-N
Compound name
4-amino-N'-(2-chlorophenyl)-5-methyl-1H-pyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.07303 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08031 157.5
[M+Na]+ 288.06225 167.9
[M+NH4]+ 283.10685 163.7
[M+K]+ 304.03619 164.5
[M-H]- 264.06575 160.2
[M+Na-2H]- 286.04770 163.5
[M]+ 265.07248 159.5
[M]- 265.07358 159.5
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.