CID 61393220

4-(5-chloro-2-methoxyphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C10H10ClN3O
SMILES
COC1=C(C=C(C=C1)Cl)C2=C(NN=C2)N
InChI
InChI=1S/C10H10ClN3O/c1-15-9-3-2-6(11)4-7(9)8-5-13-14-10(8)12/h2-5H,1H3,(H3,12,13,14)
InChIKey
DDWSNPFRYQBQJQ-UHFFFAOYSA-N
Compound name
4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

223.05124 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.058516 146.6
[M+Na]+ 246.040458 157.0
[M-H]- 222.043964 149.6
[M+NH4]+ 241.085063 164.0
[M+K]+ 262.014398 151.4
[M+H-H2O]+ 206.048500 139.3
[M+HCOO]- 268.049441 164.9
[M+CH3COO]- 282.065091 159.3
[M+Na-2H]- 244.025906 150.4
[M]+ 223.05069142 147.0
[M]- 223.05178858 147.0
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

patents stripe