CID 82079969

4-(3-fluoro-4-methoxyphenyl)-5-methyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C11H12FN3O
SMILES
CC1=C(C(=NN1)N)C2=CC(=C(C=C2)OC)F
InChI
InChI=1S/C11H12FN3O/c1-6-10(11(13)15-14-6)7-3-4-9(16-2)8(12)5-7/h3-5H,1-2H3,(H3,13,14,15)
InChIKey
OFPQZRFCIZAGKZ-UHFFFAOYSA-N
Compound name
4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09644 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.103716 146.8
[M+Na]+ 244.085658 157.2
[M-H]- 220.089164 149.1
[M+NH4]+ 239.130263 163.8
[M+K]+ 260.059598 152.6
[M+H-H2O]+ 204.093700 138.4
[M+HCOO]- 266.094641 168.5
[M+CH3COO]- 280.110291 189.3
[M+Na-2H]- 242.071106 149.5
[M]+ 221.09589142 145.1
[M]- 221.09698858 145.1
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.