CID 46183322

Xn-0502

Structural Information

Molecular Formula
C19H21N3O4
SMILES
COC1=CC=C(C=C1)C2=C(NN=C2N)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H21N3O4/c1-23-13-7-5-11(6-8-13)16-17(21-22-19(16)20)12-9-14(24-2)18(26-4)15(10-12)25-3/h5-10H,1-4H3,(H3,20,21,22)
InChIKey
SITNEARYBVAYKV-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

355.1532 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16048 183.7
[M+Na]+ 378.14242 192.7
[M-H]- 354.14592 190.5
[M+NH4]+ 373.18702 194.8
[M+K]+ 394.11636 188.3
[M+H-H2O]+ 338.15046 173.8
[M+HCOO]- 400.15140 205.4
[M+CH3COO]- 414.16705 215.7
[M+Na-2H]- 376.12787 183.8
[M]+ 355.15265 188.2
[M]- 355.15375 188.2
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