CID 13303394

1h-pyrazole-3-carboxylic acid, 4-amino-5-(4-(dimethylamino)phenyl)-, ethyl ester

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CCOC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)N(C)C)N
InChI
InChI=1S/C14H18N4O2/c1-4-20-14(19)13-11(15)12(16-17-13)9-5-7-10(8-6-9)18(2)3/h5-8H,4,15H2,1-3H3,(H,16,17)
InChIKey
YZASAZUDNNQJRU-UHFFFAOYSA-N
Compound name
ethyl 4-amino-3-[4-(dimethylamino)phenyl]-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 163.9
[M+Na]+ 297.13219 171.0
[M-H]- 273.13569 168.4
[M+NH4]+ 292.17679 178.5
[M+K]+ 313.10613 168.2
[M+H-H2O]+ 257.14023 155.0
[M+HCOO]- 319.14117 186.6
[M+CH3COO]- 333.15682 204.5
[M+Na-2H]- 295.11764 165.0
[M]+ 274.14242 164.4
[M]- 274.14352 164.4
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.