CID 15143111

Diethyl 5-anilino-1h-pyrazole-3,4-dicarboxylate

Structural Information

Molecular Formula
C15H17N3O4
SMILES
CCOC(=O)C1=C(NN=C1NC2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C15H17N3O4/c1-3-21-14(19)11-12(15(20)22-4-2)17-18-13(11)16-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,16,17,18)
InChIKey
INUOGYALSXHYES-UHFFFAOYSA-N
Compound name
diethyl 3-anilino-1H-pyrazole-4,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12192 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.129196 169.0
[M+Na]+ 326.111138 175.1
[M-H]- 302.114644 172.0
[M+NH4]+ 321.155743 181.8
[M+K]+ 342.085078 172.3
[M+H-H2O]+ 286.119180 160.0
[M+HCOO]- 348.120121 190.0
[M+CH3COO]- 362.135771 202.1
[M+Na-2H]- 324.096586 170.5
[M]+ 303.12137142 171.3
[M]- 303.12246858 171.3
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.