CID 66426131

1-(3-chlorophenyl)-5-ethyl-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula
C11H12ClN3
SMILES
CCC1=C(C=NN1C2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C11H12ClN3/c1-2-11-10(13)7-14-15(11)9-5-3-4-8(12)6-9/h3-7H,2,13H2,1H3
InChIKey
XPWZEFLUHZHEDZ-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-5-ethylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07198 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079256 148.1
[M+Na]+ 244.061198 158.7
[M-H]- 220.064704 152.3
[M+NH4]+ 239.105803 166.4
[M+K]+ 260.035138 153.1
[M+H-H2O]+ 204.069240 140.5
[M+HCOO]- 266.070181 167.3
[M+CH3COO]- 280.085831 161.2
[M+Na-2H]- 242.046646 151.8
[M]+ 221.07143142 149.3
[M]- 221.07252858 149.3
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.