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
2,5-bis(4-methoxyphenyl)pyrazol-3-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]+ 296.13936 168.2
[M+Na]+ 318.12130 177.4
[M-H]- 294.12480 175.9
[M+NH4]+ 313.16590 182.2
[M+K]+ 334.09524 172.6
[M+H-H2O]+ 278.12934 158.4
[M+HCOO]- 340.13028 191.9
[M+CH3COO]- 354.14593 180.2
[M+Na-2H]- 316.10675 171.1
[M]+ 295.13153 170.3
[M]- 295.13263 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.