CID 3702251

618098-23-0

Structural Information

Molecular Formula
C16H14BrN3
SMILES
CC1=CC(=CC=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H14BrN3/c1-11-3-2-4-12(9-11)15-10-16(18)20(19-15)14-7-5-13(17)6-8-14/h2-10H,18H2,1H3
InChIKey
DHPWHKVMKVCEIB-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-5-(3-methylphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.0371 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.04438 168.5
[M+Na]+ 350.02632 181.0
[M-H]- 326.02982 178.5
[M+NH4]+ 345.07092 185.3
[M+K]+ 366.00026 167.6
[M+H-H2O]+ 310.03436 166.0
[M+HCOO]- 372.03530 189.7
[M+CH3COO]- 386.05095 182.3
[M+Na-2H]- 348.01177 172.7
[M]+ 327.03655 186.2
[M]- 327.03765 186.2
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.