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]+ 222.10372 146.8
[M+Na]+ 244.08566 157.2
[M-H]- 220.08916 149.1
[M+NH4]+ 239.13026 163.8
[M+K]+ 260.05960 152.6
[M+H-H2O]+ 204.09370 138.4
[M+HCOO]- 266.09464 168.5
[M+CH3COO]- 280.11029 189.3
[M+Na-2H]- 242.07111 149.5
[M]+ 221.09589 145.1
[M]- 221.09699 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.