CID 4452707

3-(4-bromophenyl)-1-(4-methoxyphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C16H14BrN3O
SMILES
COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Br)N
InChI
InChI=1S/C16H14BrN3O/c1-21-14-8-6-13(7-9-14)20-16(18)10-15(19-20)11-2-4-12(17)5-3-11/h2-10H,18H2,1H3
InChIKey
IXGWWAXFXFUIPW-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-2-(4-methoxyphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.032 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.03928 171.2
[M+Na]+ 366.02122 183.3
[M-H]- 342.02472 181.1
[M+NH4]+ 361.06582 187.2
[M+K]+ 381.99516 170.5
[M+H-H2O]+ 326.02926 168.3
[M+HCOO]- 388.03020 192.5
[M+CH3COO]- 402.04585 184.7
[M+Na-2H]- 364.00667 175.4
[M]+ 343.03145 190.1
[M]- 343.03255 190.1
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.