CID 3070848

Pyrazole-5-carboxamide, 4-amino-n-(3,4-dimethoxyphenethyl)-3-methyl-

Structural Information

Molecular Formula
C15H20N4O3
SMILES
CC1=C(C(=NN1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)N
InChI
InChI=1S/C15H20N4O3/c1-9-13(16)14(19-18-9)15(20)17-7-6-10-4-5-11(21-2)12(8-10)22-3/h4-5,8H,6-7,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
PJBTUNDYCCFLMM-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.15353 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16081 172.3
[M+Na]+ 327.14275 181.7
[M+NH4]+ 322.18735 177.0
[M+K]+ 343.11669 179.2
[M-H]- 303.14625 173.7
[M+Na-2H]- 325.12820 176.4
[M]+ 304.15298 173.5
[M]- 304.15408 173.5
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

No patent data available for this compound.