CID 61176750

4-bromo-1-(2-phenylethyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C11H12BrN3
SMILES
C1=CC=C(C=C1)CCN2C=C(C(=N2)N)Br
InChI
InChI=1S/C11H12BrN3/c12-10-8-15(14-11(10)13)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,14)
InChIKey
RHLRLRXVEJGXJI-UHFFFAOYSA-N
Compound name
4-bromo-1-(2-phenylethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.02145 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.028726 151.0
[M+Na]+ 288.010668 162.8
[M-H]- 264.014174 157.6
[M+NH4]+ 283.055273 170.1
[M+K]+ 303.984608 150.6
[M+H-H2O]+ 248.018710 149.0
[M+HCOO]- 310.019651 172.6
[M+CH3COO]- 324.035301 165.3
[M+Na-2H]- 285.996116 157.1
[M]+ 265.02090142 168.7
[M]- 265.02199858 168.7
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.