CID 737152

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

11
References

42
Patents

219.10077 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe