CID 16653083

4-(4-chlorophenyl)-3-(methoxymethyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H12ClN3O
SMILES
COCC1=C(C(=NN1)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClN3O/c1-16-6-9-10(11(13)15-14-9)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H3,13,14,15)
InChIKey
RUOLMSGFFDAALU-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.0669 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07418 150.7
[M+Na]+ 260.05612 164.0
[M+NH4]+ 255.10072 158.4
[M+K]+ 276.03006 159.0
[M-H]- 236.05962 153.4
[M+Na-2H]- 258.04157 157.8
[M]+ 237.06635 153.5
[M]- 237.06745 153.5
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

patents stripe