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

23
Patents

219.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.108046 147.0
[M+Na]+ 242.089988 156.2
[M-H]- 218.093494 150.3
[M+NH4]+ 237.134593 163.7
[M+K]+ 258.063928 152.7
[M+H-H2O]+ 202.098030 139.0
[M+HCOO]- 264.098971 169.9
[M+CH3COO]- 278.114621 187.6
[M+Na-2H]- 240.075436 151.0
[M]+ 219.10022142 147.3
[M]- 219.10131858 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