CID 43158580

4-(4-bromophenyl)-2,5-dimethyl-2,3-dihydro-1h-pyrazol-3-imine hydrochloride

Structural Information

Molecular Formula
C11H12BrN3
SMILES
CC1=NN(C(=C1C2=CC=C(C=C2)Br)N)C
InChI
InChI=1S/C11H12BrN3/c1-7-10(11(13)15(2)14-7)8-3-5-9(12)6-4-8/h3-6H,13H2,1-2H3
InChIKey
RYEVCRZPUXDJLP-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.02145 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.028726 151.2
[M+Na]+ 288.010668 164.8
[M-H]- 264.014174 158.5
[M+NH4]+ 283.055273 170.9
[M+K]+ 303.984608 152.4
[M+H-H2O]+ 248.018710 149.6
[M+HCOO]- 310.019651 172.7
[M+CH3COO]- 324.035301 196.6
[M+Na-2H]- 285.996116 155.9
[M]+ 265.02090142 169.6
[M]- 265.02199858 169.6
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.