CID 4465196

1,3-bis(4-methoxyphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C17H17N3O2
SMILES
COC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H17N3O2/c1-21-14-7-3-12(4-8-14)16-11-17(18)20(19-16)13-5-9-15(22-2)10-6-13/h3-11H,18H2,1-2H3
InChIKey
MCSISKYQAXAWGQ-UHFFFAOYSA-N
Compound name
1,3-bis(4-methoxyphenyl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 168.2
[M+Na]+ 318.121298 177.4
[M-H]- 294.124804 175.9
[M+NH4]+ 313.165903 182.2
[M+K]+ 334.095238 172.6
[M+H-H2O]+ 278.129340 158.4
[M+HCOO]- 340.130281 191.9
[M+CH3COO]- 354.145931 180.2
[M+Na-2H]- 316.106746 171.1
[M]+ 295.13153142 170.3
[M]- 295.13262858 170.3
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.