CID 4052140

618098-10-5

Structural Information

Molecular Formula
C17H17N3O
SMILES
CC1=CC(=CC=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H17N3O/c1-12-4-3-5-13(10-12)16-11-17(18)20(19-16)14-6-8-15(21-2)9-7-14/h3-11H,18H2,1-2H3
InChIKey
DDPOWZJAQLPXKX-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13718 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.144456 165.3
[M+Na]+ 302.126398 174.6
[M-H]- 278.129904 173.0
[M+NH4]+ 297.171003 180.0
[M+K]+ 318.100338 169.2
[M+H-H2O]+ 262.134440 155.6
[M+HCOO]- 324.135381 188.8
[M+CH3COO]- 338.151031 177.4
[M+Na-2H]- 300.111846 168.1
[M]+ 279.13663142 166.0
[M]- 279.13772858 166.0
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.