CID 3070850

1h-pyrazole-3-carboxamide, 4-amino-n-((4-methoxyphenyl)methyl)-5-methyl-

Structural Information

Molecular Formula
C13H16N4O2
SMILES
CC1=C(C(=NN1)C(=O)NCC2=CC=C(C=C2)OC)N
InChI
InChI=1S/C13H16N4O2/c1-8-11(14)12(17-16-8)13(18)15-7-9-3-5-10(19-2)6-4-9/h3-6H,7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKey
DUXPUARNDBNSPQ-UHFFFAOYSA-N
Compound name
4-amino-N-[(4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 159.2
[M+Na]+ 283.11654 166.6
[M-H]- 259.12004 162.3
[M+NH4]+ 278.16114 173.7
[M+K]+ 299.09048 162.6
[M+H-H2O]+ 243.12458 150.6
[M+HCOO]- 305.12552 181.6
[M+CH3COO]- 319.14117 198.3
[M+Na-2H]- 281.10199 161.5
[M]+ 260.12677 158.1
[M]- 260.12787 158.1
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.