CID 43158772

3-(4-bromophenyl)-1,4-dimethyl-1h-pyrazol-5-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

265.02145 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02873 151.2
[M+Na]+ 288.01067 164.8
[M-H]- 264.01417 158.5
[M+NH4]+ 283.05527 170.9
[M+K]+ 303.98461 152.4
[M+H-H2O]+ 248.01871 149.6
[M+HCOO]- 310.01965 172.7
[M+CH3COO]- 324.03530 196.6
[M+Na-2H]- 285.99612 155.9
[M]+ 265.02090 169.6
[M]- 265.02200 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

patents stripe