CID 4358551

208519-08-8

Structural Information

Molecular Formula
C11H13N3O2
SMILES
COC1=C(C=C(C=C1)C2=CC(=NN2)N)OC
InChI
InChI=1S/C11H13N3O2/c1-15-9-4-3-7(5-10(9)16-2)8-6-11(12)14-13-8/h3-6H,1-2H3,(H3,12,13,14)
InChIKey
UKCBIFQXFFDGHC-UHFFFAOYSA-N
Compound name
5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

219.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 147.0
[M+Na]+ 242.08999 156.2
[M-H]- 218.09349 150.3
[M+NH4]+ 237.13459 163.7
[M+K]+ 258.06393 152.7
[M+H-H2O]+ 202.09803 139.0
[M+HCOO]- 264.09897 169.9
[M+CH3COO]- 278.11462 187.6
[M+Na-2H]- 240.07544 151.0
[M]+ 219.10022 147.3
[M]- 219.10132 147.3
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