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]+ 305.160806 171.0
[M+Na]+ 327.142748 178.2
[M-H]- 303.146254 174.2
[M+NH4]+ 322.187353 184.0
[M+K]+ 343.116688 174.5
[M+H-H2O]+ 287.150790 162.1
[M+HCOO]- 349.151731 193.0
[M+CH3COO]- 363.167381 207.8
[M+Na-2H]- 325.128196 171.7
[M]+ 304.15298142 172.4
[M]- 304.15407858 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.