CID 3277

Etazolate

Structural Information

Molecular Formula
C14H19N5O2
SMILES
CCN1C2=NC=C(C(=C2C=N1)NN=C(C)C)C(=O)OCC
InChI
InChI=1S/C14H19N5O2/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2/h7-8H,5-6H2,1-4H3,(H,15,18)
InChIKey
OPQRBXUBWHDHPQ-UHFFFAOYSA-N
Compound name
ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

102
References

2676
Patents

289.15387 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16115 166.9
[M+Na]+ 312.14309 177.5
[M+NH4]+ 307.18769 172.1
[M+K]+ 328.11703 174.3
[M-H]- 288.14659 167.2
[M+Na-2H]- 310.12854 170.9
[M]+ 289.15332 168.1
[M]- 289.15442 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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