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 171.0
[M+Na]+ 327.14275 178.2
[M-H]- 303.14625 174.2
[M+NH4]+ 322.18735 184.0
[M+K]+ 343.11669 174.5
[M+H-H2O]+ 287.15079 162.1
[M+HCOO]- 349.15173 193.0
[M+CH3COO]- 363.16738 207.8
[M+Na-2H]- 325.12820 171.7
[M]+ 304.15298 172.4
[M]- 304.15408 172.4
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.