CID 680670

4-(3,4-dimethoxyphenyl)-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC1=C(C(=NN1)N)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C12H15N3O2/c1-7-11(12(13)15-14-7)8-4-5-9(16-2)10(6-8)17-3/h4-6H,1-3H3,(H3,13,14,15)
InChIKey
XHRZFDDZHQRHFP-UHFFFAOYSA-N
Compound name
4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

17
Patents

233.11642 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 151.9
[M+Na]+ 256.10564 161.6
[M-H]- 232.10914 155.4
[M+NH4]+ 251.15024 168.4
[M+K]+ 272.07958 157.8
[M+H-H2O]+ 216.11368 144.1
[M+HCOO]- 278.11462 174.5
[M+CH3COO]- 292.13027 191.8
[M+Na-2H]- 254.09109 154.6
[M]+ 233.11587 153.0
[M]- 233.11697 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe