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]+ 304.12920 169.0
[M+Na]+ 326.11114 175.1
[M-H]- 302.11464 172.0
[M+NH4]+ 321.15574 181.8
[M+K]+ 342.08508 172.3
[M+H-H2O]+ 286.11918 160.0
[M+HCOO]- 348.12012 190.0
[M+CH3COO]- 362.13577 202.1
[M+Na-2H]- 324.09659 170.5
[M]+ 303.12137 171.3
[M]- 303.12247 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.