CID 10637028

203123-01-7

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(C)(C)C)N
InChI
InChI=1S/C16H21N3O2/c1-5-21-15(20)13-10-18-19(14(13)17)12-8-6-11(7-9-12)16(2,3)4/h6-10H,5,17H2,1-4H3
InChIKey
DKQVQLQOJLKTCG-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-(4-tert-butylphenyl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1634 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 169.0
[M+Na]+ 310.15262 179.9
[M+NH4]+ 305.19722 174.9
[M+K]+ 326.12656 177.0
[M-H]- 286.15612 170.5
[M+Na-2H]- 308.13807 174.5
[M]+ 287.16285 170.8
[M]- 287.16395 170.8
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.